(2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide

C15H18N8O — CID 95782037

IUPAC(2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(C)c1nc(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)n[nH]1
InChIInChI=1S/C15H18N8O/c1-9(2)12-16-15(20-18-12)17-14(24)10(3)23-21-13(19-22-23)11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,16,17,18,20,24)/t10-/m0/s1
InChIKeyKUZXTOPJFDQXKD-JTQLQIEISA-N
MW326.36 g/mol
LogP1.78
Rot. Bonds5

About (2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide

(2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 95782037) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is (2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID95782037
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name(2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(C)c1nc(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)n[nH]1
InChIInChI=1S/C15H18N8O/c1-9(2)12-16-15(20-18-12)17-14(24)10(3)23-21-13(19-22-23)11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,16,17,18,20,24)/t10-/m0/s1
InChIKeyKUZXTOPJFDQXKD-JTQLQIEISA-N
XLogP1.78
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 75440170
N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 71869195
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
(2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 96560248
N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 111487110
(2S)-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-2-(tetrazol-1-yl)acetamide
CID 71829742
(2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 95330076
(2R)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 95330075
cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678868

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of (2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 95782037) is (2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide is CC(C)c1nc(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)n[nH]1.
What is the InChIKey of (2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is KUZXTOPJFDQXKD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N8O/c1-9(2)12-16-15(20-18-12)17-14(24)10(3)23-21-13(19-22-23)11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,16,17,18,20,24)/t10-/m0/s1.
What are the key properties of (2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
(2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 326.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 95782037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).