N-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide

C8H15N5O — CID 115365778

IUPACN-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide
SMILESCC(C)(CN)CNC(=O)c1cn[nH]n1
InChIInChI=1S/C8H15N5O/c1-8(2,4-9)5-10-7(14)6-3-11-13-12-6/h3H,4-5,9H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyRVNPSEFLSNNQOQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.48
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide (PubChem CID 115365778) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide
PubChem CID115365778
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide
SMILESCC(C)(CN)CNC(=O)c1cn[nH]n1
InChIInChI=1S/C8H15N5O/c1-8(2,4-9)5-10-7(14)6-3-11-13-12-6/h3H,4-5,9H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyRVNPSEFLSNNQOQ-UHFFFAOYSA-N
XLogP-0.48
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide (CID 115365778) is N-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide is CC(C)(CN)CNC(=O)c1cn[nH]n1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide?
The InChIKey is RVNPSEFLSNNQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-8(2,4-9)5-10-7(14)6-3-11-13-12-6/h3H,4-5,9H2,1-2H3,(H,10,14)(H,11,12,13).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 115365778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).