5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid

C7H12N4O2 — CID 61347310

IUPAC5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid
SMILESNc1n[nH]c(CCCCC(=O)O)n1
InChIInChI=1S/C7H12N4O2/c8-7-9-5(10-11-7)3-1-2-4-6(12)13/h1-4H2,(H,12,13)(H3,8,9,10,11)
InChIKeyNIKLTQGUCFEXGW-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.18
Rot. Bonds5

About 5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid

5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid (PubChem CID 61347310) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid
PubChem CID61347310
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid
SMILESNc1n[nH]c(CCCCC(=O)O)n1
InChIInChI=1S/C7H12N4O2/c8-7-9-5(10-11-7)3-1-2-4-6(12)13/h1-4H2,(H,12,13)(H3,8,9,10,11)
InChIKeyNIKLTQGUCFEXGW-UHFFFAOYSA-N
XLogP0.18
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[11-(3-amino-1H-1,2,4-triazol-5-yl)undecyl]-1H-1,2,4-triazol-3-amine
CID 169209981
5-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pentanoic acid
CID 61346928
5-hexadecyl-1H-1,2,4-triazol-3-amine
CID 70261193
5-pentadecyl-1H-1,2,4-triazol-3-amine
CID 6421777
5-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)pentanoic acid
CID 61345746
4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanoic acid
CID 61352792
2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium
CID 3364740
3-(3-amino-1H-1,2,4-triazol-5-yl)-1-piperazin-1-ylpropan-1-one
CID 82509691
5-[(Z)-heptadec-8-enyl]-1H-1,2,4-triazol-3-amine
CID 14767757
5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pentanoic acid
CID 22759402
6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine
CID 174906007
4-(5-methyl-1H-1,2,4-triazol-3-yl)butanoic acid
CID 61346351

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid?
The IUPAC name of 5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid (CID 61347310) is 5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid.
What is the SMILES notation for 5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid?
The canonical SMILES for 5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid is Nc1n[nH]c(CCCCC(=O)O)n1.
What is the InChIKey of 5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid?
The InChIKey is NIKLTQGUCFEXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-7-9-5(10-11-7)3-1-2-4-6(12)13/h1-4H2,(H,12,13)(H3,8,9,10,11).
What are the key properties of 5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid?
5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid has a molecular weight of 184.20 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1H-1,2,4-triazol-5-yl)pentanoic acid is sourced from PubChem (CID 61347310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).