4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

C14H14Cl2N8 — CID 110190045

IUPAC4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2cc(Cl)cc(Cl)c2)nc(-n2cncn2)n1
InChIInChI=1S/C14H14Cl2N8/c1-8(2)19-12-21-13(20-11-4-9(15)3-10(16)5-11)23-14(22-12)24-7-17-6-18-24/h3-8H,1-2H3,(H2,19,20,21,22,23)
InChIKeyUYJWXOAYNJCCDJ-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.32
Rot. Bonds5

About 4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 110190045) has the molecular formula C14H14Cl2N8 and a molecular weight of 365.23 g/mol. Its IUPAC name is 4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID110190045
Molecular FormulaC14H14Cl2N8
Molecular Weight365.23 g/mol
Exact Mass364.07
IUPAC Name4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2cc(Cl)cc(Cl)c2)nc(-n2cncn2)n1
InChIInChI=1S/C14H14Cl2N8/c1-8(2)19-12-21-13(20-11-4-9(15)3-10(16)5-11)23-14(22-12)24-7-17-6-18-24/h3-8H,1-2H3,(H2,19,20,21,22,23)
InChIKeyUYJWXOAYNJCCDJ-UHFFFAOYSA-N
XLogP3.32
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 110190045) is 4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(Nc2cc(Cl)cc(Cl)c2)nc(-n2cncn2)n1.
What is the InChIKey of 4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UYJWXOAYNJCCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N8/c1-8(2)19-12-21-13(20-11-4-9(15)3-10(16)5-11)23-14(22-12)24-7-17-6-18-24/h3-8H,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 365.23 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dichlorophenyl)-2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 110190045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).