3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

C22H22F3N9Pt — CID 146797197

IUPAC3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESCC12CCC(c3c(-c4ccccn4)n[nH]c31)C2(C)C.Cc1n[n-]c(-c2nc(C(F)(F)F)n[n-]2)n1.[Pt+2]
InChIInChI=1S/C16H19N3.C6H3F3N6.Pt/c1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;1-2-10-3(13-12-2)4-11-5(15-14-4)6(7,8)9;/h4-6,9-10H,7-8H2,1-3H3,(H,18,19);1H3;/q;-2;+2
InChIKeyRXCDBTXAKHAYHR-UHFFFAOYSA-N
MW664.55 g/mol
LogP3.82
Rot. Bonds2

About 3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (PubChem CID 146797197) has the molecular formula C22H22F3N9Pt and a molecular weight of 664.55 g/mol. Its IUPAC name is 3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.

Molecular Properties

Compound Name3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
PubChem CID146797197
Molecular FormulaC22H22F3N9Pt
Molecular Weight664.55 g/mol
Exact Mass664.16
IUPAC Name3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESCC12CCC(c3c(-c4ccccn4)n[nH]c31)C2(C)C.Cc1n[n-]c(-c2nc(C(F)(F)F)n[n-]2)n1.[Pt+2]
InChIInChI=1S/C16H19N3.C6H3F3N6.Pt/c1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;1-2-10-3(13-12-2)4-11-5(15-14-4)6(7,8)9;/h4-6,9-10H,7-8H2,1-3H3,(H,18,19);1H3;/q;-2;+2
InChIKeyRXCDBTXAKHAYHR-UHFFFAOYSA-N
XLogP3.82
TPSA121.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500664.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The IUPAC name of 3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (CID 146797197) is 3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.
What is the SMILES notation for 3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The canonical SMILES for 3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is CC12CCC(c3c(-c4ccccn4)n[nH]c31)C2(C)C.Cc1n[n-]c(-c2nc(C(F)(F)F)n[n-]2)n1.[Pt+2].
What is the InChIKey of 3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The InChIKey is RXCDBTXAKHAYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3.C6H3F3N6.Pt/c1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;1-2-10-3(13-12-2)4-11-5(15-14-4)6(7,8)9;/h4-6,9-10H,7-8H2,1-3H3,(H,18,19);1H3;/q;-2;+2.
What are the key properties of 3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene has a molecular weight of 664.55 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2,4-diaza-1-azanidacyclopenta-2,4-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is sourced from PubChem (CID 146797197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).