4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C11H12N8 — CID 133449329

IUPAC4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCCn3ccnn3)ncnc2n1
InChIInChI=1S/C11H12N8/c12-9-2-1-8-10(14-7-15-11(8)17-9)13-3-5-19-6-4-16-18-19/h1-2,4,6-7H,3,5H2,(H3,12,13,14,15,17)
InChIKeyMBERQKRNCAYXIZ-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.31
Rot. Bonds4

About 4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133449329) has the molecular formula C11H12N8 and a molecular weight of 256.27 g/mol. Its IUPAC name is 4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133449329
Molecular FormulaC11H12N8
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCCn3ccnn3)ncnc2n1
InChIInChI=1S/C11H12N8/c12-9-2-1-8-10(14-7-15-11(8)17-9)13-3-5-19-6-4-16-18-19/h1-2,4,6-7H,3,5H2,(H3,12,13,14,15,17)
InChIKeyMBERQKRNCAYXIZ-UHFFFAOYSA-N
XLogP0.31
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 113374878
[4-[2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]methanol
CID 133434894
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine
CID 102987204
4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407916
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 113375092
4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133415153
4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407759
4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409050
4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 154866636
4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407874

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133449329) is 4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is Nc1ccc2c(NCCn3ccnn3)ncnc2n1.
What is the InChIKey of 4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is MBERQKRNCAYXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8/c12-9-2-1-8-10(14-7-15-11(8)17-9)13-3-5-19-6-4-16-18-19/h1-2,4,6-7H,3,5H2,(H3,12,13,14,15,17).
What are the key properties of 4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 256.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133449329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).