(2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide

C19H24N8O — CID 125432253

IUPAC(2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(Nc1n[nH]c(CCC2CCCC2)n1)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C19H24N8O/c28-18(16(27-13-20-25-26-27)12-15-8-2-1-3-9-15)22-19-21-17(23-24-19)11-10-14-6-4-5-7-14/h1-3,8-9,13-14,16H,4-7,10-12H2,(H2,21,22,23,24,28)/t16-/m0/s1
InChIKeyCXZINXWJXSYRHT-INIZCTEOSA-N
MW380.46 g/mol
LogP2.34
Rot. Bonds8

About (2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide

(2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 125432253) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is (2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID125432253
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name(2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(Nc1n[nH]c(CCC2CCCC2)n1)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C19H24N8O/c28-18(16(27-13-20-25-26-27)12-15-8-2-1-3-9-15)22-19-21-17(23-24-19)11-10-14-6-4-5-7-14/h1-3,8-9,13-14,16H,4-7,10-12H2,(H2,21,22,23,24,28)/t16-/m0/s1
InChIKeyCXZINXWJXSYRHT-INIZCTEOSA-N
XLogP2.34
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 125432253) is (2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide is O=C(Nc1n[nH]c(CCC2CCCC2)n1)[C@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is CXZINXWJXSYRHT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N8O/c28-18(16(27-13-20-25-26-27)12-15-8-2-1-3-9-15)22-19-21-17(23-24-19)11-10-14-6-4-5-7-14/h1-3,8-9,13-14,16H,4-7,10-12H2,(H2,21,22,23,24,28)/t16-/m0/s1.
What are the key properties of (2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
(2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 380.46 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 125432253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).