3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide

C9H15N5O2 — CID 114629744

IUPAC3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H15N5O2/c1-9(2)4(3-5(9)15)11-7(16)6-12-8(10)14-13-6/h4-5,15H,3H2,1-2H3,(H,11,16)(H3,10,12,13,14)
InChIKeyIHTGERZKWAUCGG-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.72
Rot. Bonds2

About 3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 114629744) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID114629744
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H15N5O2/c1-9(2)4(3-5(9)15)11-7(16)6-12-8(10)14-13-6/h4-5,15H,3H2,1-2H3,(H,11,16)(H3,10,12,13,14)
InChIKeyIHTGERZKWAUCGG-UHFFFAOYSA-N
XLogP-0.72
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.72
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-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide (CID 114629744) is 3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide is CC1(C)C(O)CC1NC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is IHTGERZKWAUCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-9(2)4(3-5(9)15)11-7(16)6-12-8(10)14-13-6/h4-5,15H,3H2,1-2H3,(H,11,16)(H3,10,12,13,14).
What are the key properties of 3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.72, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 114629744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).