N-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

C12H23N5O — CID 113283957

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)NC(C)(CN)C(C)C)n[nH]1
InChIInChI=1S/C12H23N5O/c1-7(2)9-14-10(17-16-9)11(18)15-12(5,6-13)8(3)4/h7-8H,6,13H2,1-5H3,(H,15,18)(H,14,16,17)
InChIKeyPBNYXSOOMDOZFR-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.03
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 113283957) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
PubChem CID113283957
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)NC(C)(CN)C(C)C)n[nH]1
InChIInChI=1S/C12H23N5O/c1-7(2)9-14-10(17-16-9)11(18)15-12(5,6-13)8(3)4/h7-8H,6,13H2,1-5H3,(H,15,18)(H,14,16,17)
InChIKeyPBNYXSOOMDOZFR-UHFFFAOYSA-N
XLogP1.03
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide (CID 113283957) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide is CC(C)c1nc(C(=O)NC(C)(CN)C(C)C)n[nH]1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is PBNYXSOOMDOZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-7(2)9-14-10(17-16-9)11(18)15-12(5,6-13)8(3)4/h7-8H,6,13H2,1-5H3,(H,15,18)(H,14,16,17).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 113283957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).