N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine

C17H15N7 — CID 75431705

IUPACN-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESc1cc(CNc2ncnc3ncccc23)cc(Cn2cncn2)c1
InChIInChI=1S/C17H15N7/c1-3-13(7-14(4-1)9-24-12-18-10-23-24)8-20-17-15-5-2-6-19-16(15)21-11-22-17/h1-7,10-12H,8-9H2,(H,19,20,21,22)
InChIKeyBTGGDNKGAKKOGY-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.28
Rot. Bonds5

About N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine

N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 75431705) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID75431705
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESc1cc(CNc2ncnc3ncccc23)cc(Cn2cncn2)c1
InChIInChI=1S/C17H15N7/c1-3-13(7-14(4-1)9-24-12-18-10-23-24)8-20-17-15-5-2-6-19-16(15)21-11-22-17/h1-7,10-12H,8-9H2,(H,19,20,21,22)
InChIKeyBTGGDNKGAKKOGY-UHFFFAOYSA-N
XLogP2.28
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine (CID 75431705) is N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine is c1cc(CNc2ncnc3ncccc23)cc(Cn2cncn2)c1.
What is the InChIKey of N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is BTGGDNKGAKKOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-3-13(7-14(4-1)9-24-12-18-10-23-24)8-20-17-15-5-2-6-19-16(15)21-11-22-17/h1-7,10-12H,8-9H2,(H,19,20,21,22).
What are the key properties of N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 317.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 75431705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).