(2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C13H14N8O — CID 126453124

IUPAC(2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(NCc1ncn[nH]1)[C@@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C13H14N8O/c22-13(14-7-12-15-8-16-18-12)11(21-9-17-19-20-21)6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,14,22)(H,15,16,18)/t11-/m1/s1
InChIKeySCXXNRKASIFXBH-LLVKDONJSA-N
MW298.31 g/mol
LogP-0.11
Rot. Bonds6

About (2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

(2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 126453124) has the molecular formula C13H14N8O and a molecular weight of 298.31 g/mol. Its IUPAC name is (2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID126453124
Molecular FormulaC13H14N8O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name(2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(NCc1ncn[nH]1)[C@@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C13H14N8O/c22-13(14-7-12-15-8-16-18-12)11(21-9-17-19-20-21)6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,14,22)(H,15,16,18)/t11-/m1/s1
InChIKeySCXXNRKASIFXBH-LLVKDONJSA-N
XLogP-0.11
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of (2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 126453124) is (2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for (2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for (2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is O=C(NCc1ncn[nH]1)[C@@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of (2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is SCXXNRKASIFXBH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N8O/c22-13(14-7-12-15-8-16-18-12)11(21-9-17-19-20-21)6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,14,22)(H,15,16,18)/t11-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
(2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 298.31 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 126453124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).