(2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide

C14H16N8O — CID 126449375

IUPAC(2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCc1nnnn1[C@H](C(=O)NCCn1cncn1)c1ccccc1
InChIInChI=1S/C14H16N8O/c1-11-18-19-20-22(11)13(12-5-3-2-4-6-12)14(23)16-7-8-21-10-15-9-17-21/h2-6,9-10,13H,7-8H2,1H3,(H,16,23)/t13-/m0/s1
InChIKeyITOSOXLRBFZVKA-ZDUSSCGKSA-N
MW312.34 g/mol
LogP-0.02
Rot. Bonds6

About (2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide

(2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (PubChem CID 126449375) has the molecular formula C14H16N8O and a molecular weight of 312.34 g/mol. Its IUPAC name is (2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
PubChem CID126449375
Molecular FormulaC14H16N8O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name(2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCc1nnnn1[C@H](C(=O)NCCn1cncn1)c1ccccc1
InChIInChI=1S/C14H16N8O/c1-11-18-19-20-22(11)13(12-5-3-2-4-6-12)14(23)16-7-8-21-10-15-9-17-21/h2-6,9-10,13H,7-8H2,1H3,(H,16,23)/t13-/m0/s1
InChIKeyITOSOXLRBFZVKA-ZDUSSCGKSA-N
XLogP-0.02
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide with MolForge

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Related Compounds

(2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide
CID 99973558
N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide
CID 86284797
3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 91791500
(2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 165344245
5-methyl-4-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]thiophene-3-carboxamide
CID 135115766
N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 80506321
N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63120307
N-(2-phenylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47138932
tert-butyl N-[2-(1,2,4-triazol-1-yl)ethyl]carbamate
CID 130752729
2-phenyl-4-(1,2,4-triazol-1-yl)butanoate
CID 19095984
2-(3-fluorophenyl)-2-hydroxy-N-[3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 91763037
N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86829051

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The IUPAC name of (2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (CID 126449375) is (2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.
What is the SMILES notation for (2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The canonical SMILES for (2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is Cc1nnnn1[C@H](C(=O)NCCn1cncn1)c1ccccc1.
What is the InChIKey of (2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The InChIKey is ITOSOXLRBFZVKA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N8O/c1-11-18-19-20-22(11)13(12-5-3-2-4-6-12)14(23)16-7-8-21-10-15-9-17-21/h2-6,9-10,13H,7-8H2,1H3,(H,16,23)/t13-/m0/s1.
What are the key properties of (2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
(2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide has a molecular weight of 312.34 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 126449375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).