N,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine

C20H24N8 — CID 57393217

IUPACN,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine
SMILESCNc1nc2[nH]c(-c3cccc(N4CCN(C)CC4)n3)cc2c2c1ncn2C
InChIInChI=1S/C20H24N8/c1-21-20-17-18(27(3)12-22-17)13-11-15(24-19(13)25-20)14-5-4-6-16(23-14)28-9-7-26(2)8-10-28/h4-6,11-12H,7-10H2,1-3H3,(H2,21,24,25)
InChIKeyYFRSSQHBXLMDAZ-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.31
Rot. Bonds3

About N,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine

N,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine (PubChem CID 57393217) has the molecular formula C20H24N8 and a molecular weight of 376.47 g/mol. Its IUPAC name is N,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine.

Molecular Properties

Compound NameN,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine
PubChem CID57393217
Molecular FormulaC20H24N8
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC NameN,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine
SMILESCNc1nc2[nH]c(-c3cccc(N4CCN(C)CC4)n3)cc2c2c1ncn2C
InChIInChI=1S/C20H24N8/c1-21-20-17-18(27(3)12-22-17)13-11-15(24-19(13)25-20)14-5-4-6-16(23-14)28-9-7-26(2)8-10-28/h4-6,11-12H,7-10H2,1-3H3,(H2,21,24,25)
InChIKeyYFRSSQHBXLMDAZ-UHFFFAOYSA-N
XLogP2.31
TPSA77.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine?
The IUPAC name of N,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine (CID 57393217) is N,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine.
What is the SMILES notation for N,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine?
The canonical SMILES for N,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine is CNc1nc2[nH]c(-c3cccc(N4CCN(C)CC4)n3)cc2c2c1ncn2C.
What is the InChIKey of N,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine?
The InChIKey is YFRSSQHBXLMDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8/c1-21-20-17-18(27(3)12-22-17)13-11-15(24-19(13)25-20)14-5-4-6-16(23-14)28-9-7-26(2)8-10-28/h4-6,11-12H,7-10H2,1-3H3,(H2,21,24,25).
What are the key properties of N,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine?
N,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine has a molecular weight of 376.47 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-11-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine is sourced from PubChem (CID 57393217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).