3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide

C8H13N5O2 — CID 66004028

IUPAC3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCC2CC(O)C2)n1
InChIInChI=1S/C8H13N5O2/c9-8-11-6(12-13-8)7(15)10-3-4-1-5(14)2-4/h4-5,14H,1-3H2,(H,10,15)(H3,9,11,12,13)
InChIKeySZSPDCHDHPGDGC-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.11
Rot. Bonds3

About 3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 66004028) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID66004028
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCC2CC(O)C2)n1
InChIInChI=1S/C8H13N5O2/c9-8-11-6(12-13-8)7(15)10-3-4-1-5(14)2-4/h4-5,14H,1-3H2,(H,10,15)(H3,9,11,12,13)
InChIKeySZSPDCHDHPGDGC-UHFFFAOYSA-N
XLogP-1.11
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide (CID 66004028) is 3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NCC2CC(O)C2)n1.
What is the InChIKey of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is SZSPDCHDHPGDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-8-11-6(12-13-8)7(15)10-3-4-1-5(14)2-4/h4-5,14H,1-3H2,(H,10,15)(H3,9,11,12,13).
What are the key properties of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -1.11, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxycyclobutyl)methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 66004028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).