N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide

C9H13N7O — CID 79529704

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide
SMILESNc1[nH]ncc1CNC(=O)CCn1ccnn1
InChIInChI=1S/C9H13N7O/c10-9-7(6-13-14-9)5-11-8(17)1-3-16-4-2-12-15-16/h2,4,6H,1,3,5H2,(H,11,17)(H3,10,13,14)
InChIKeyFQKQMCGTJODBGP-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.71
Rot. Bonds5

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide (PubChem CID 79529704) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide
PubChem CID79529704
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide
SMILESNc1[nH]ncc1CNC(=O)CCn1ccnn1
InChIInChI=1S/C9H13N7O/c10-9-7(6-13-14-9)5-11-8(17)1-3-16-4-2-12-15-16/h2,4,6H,1,3,5H2,(H,11,17)(H3,10,13,14)
InChIKeyFQKQMCGTJODBGP-UHFFFAOYSA-N
XLogP-0.71
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide (CID 79529704) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide is Nc1[nH]ncc1CNC(=O)CCn1ccnn1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide?
The InChIKey is FQKQMCGTJODBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c10-9-7(6-13-14-9)5-11-8(17)1-3-16-4-2-12-15-16/h2,4,6H,1,3,5H2,(H,11,17)(H3,10,13,14).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide has a molecular weight of 235.25 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 79529704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).