(2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide

C18H18N8O2 — CID 51494712

IUPAC(2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCn1nnn(-c2ccccc2)c1=O)n1nc2ccccc2n1
InChIInChI=1S/C18H18N8O2/c1-13(26-20-15-9-5-6-10-16(15)21-26)17(27)19-11-12-24-18(28)25(23-22-24)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,19,27)/t13-/m0/s1
InChIKeyRGYKLBRYZAJCIV-ZDUSSCGKSA-N
MW378.40 g/mol
LogP0.55
Rot. Bonds6

About (2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide

(2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide (PubChem CID 51494712) has the molecular formula C18H18N8O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is (2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide
PubChem CID51494712
Molecular FormulaC18H18N8O2
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC Name(2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCn1nnn(-c2ccccc2)c1=O)n1nc2ccccc2n1
InChIInChI=1S/C18H18N8O2/c1-13(26-20-15-9-5-6-10-16(15)21-26)17(27)19-11-12-24-18(28)25(23-22-24)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,19,27)/t13-/m0/s1
InChIKeyRGYKLBRYZAJCIV-ZDUSSCGKSA-N
XLogP0.55
TPSA112.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide
CID 46959742
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide
CID 46959750
1-[3-(5-oxo-4-phenyltetrazol-1-yl)propyl]-4-phenyltetrazol-5-one
CID 40598560
2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide
CID 110221025
1-octyl-4-phenyltetrazol-5-one
CID 15508327
(2S)-N-ethyl-2-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]propanamide
CID 9379983
1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride
CID 71298734
2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 17408499
methyl 4-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]butanoate
CID 24519768
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 24572333
1-(2-aminobutyl)-4-phenyltetrazol-5-one
CID 23607800
1-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-3-propan-2-ylurea
CID 90542092

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide (CID 51494712) is (2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide is C[C@@H](C(=O)NCCn1nnn(-c2ccccc2)c1=O)n1nc2ccccc2n1.
What is the InChIKey of (2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide?
The InChIKey is RGYKLBRYZAJCIV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N8O2/c1-13(26-20-15-9-5-6-10-16(15)21-26)17(27)19-11-12-24-18(28)25(23-22-24)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,19,27)/t13-/m0/s1.
What are the key properties of (2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide?
(2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide has a molecular weight of 378.40 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 51494712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).