2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide

C19H19N9O — CID 138034324

IUPAC2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)n1cnc2c(N)ncnc21
InChIInChI=1S/C19H19N9O/c1-10(28-9-23-14-15(20)21-8-22-18(14)28)19(29)24-13-6-4-12(5-7-13)17-25-16(26-27-17)11-2-3-11/h4-11H,2-3H2,1H3,(H,24,29)(H2,20,21,22)(H,25,26,27)
InChIKeyRBSDIOKHCVPFPP-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.27
Rot. Bonds5

About 2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide

2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide (PubChem CID 138034324) has the molecular formula C19H19N9O and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
PubChem CID138034324
Molecular FormulaC19H19N9O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)n1cnc2c(N)ncnc21
InChIInChI=1S/C19H19N9O/c1-10(28-9-23-14-15(20)21-8-22-18(14)28)19(29)24-13-6-4-12(5-7-13)17-25-16(26-27-17)11-2-3-11/h4-11H,2-3H2,1H3,(H,24,29)(H2,20,21,22)(H,25,26,27)
InChIKeyRBSDIOKHCVPFPP-UHFFFAOYSA-N
XLogP2.27
TPSA140.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide 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 2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The IUPAC name of 2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide (CID 138034324) is 2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The canonical SMILES for 2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide is CC(C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)n1cnc2c(N)ncnc21.
What is the InChIKey of 2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The InChIKey is RBSDIOKHCVPFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9O/c1-10(28-9-23-14-15(20)21-8-22-18(14)28)19(29)24-13-6-4-12(5-7-13)17-25-16(26-27-17)11-2-3-11/h4-11H,2-3H2,1H3,(H,24,29)(H2,20,21,22)(H,25,26,27).
What are the key properties of 2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide has a molecular weight of 389.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 138034324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).