2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide

C13H16N6O — CID 61261084

IUPAC2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CNCC1CC1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H16N6O/c20-13(8-14-7-10-1-2-10)16-11-3-5-12(6-4-11)19-9-15-17-18-19/h3-6,9-10,14H,1-2,7-8H2,(H,16,20)
InChIKeyWHEKHARFQWXKSN-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.60
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 61261084) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID61261084
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CNCC1CC1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H16N6O/c20-13(8-14-7-10-1-2-10)16-11-3-5-12(6-4-11)19-9-15-17-18-19/h3-6,9-10,14H,1-2,7-8H2,(H,16,20)
InChIKeyWHEKHARFQWXKSN-UHFFFAOYSA-N
XLogP0.60
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide 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-(cyclopropylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61260899
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide
CID 114014593
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719
2-(4-cyclohexylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 1439489
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
2-[4-(2-methylphenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 46979424

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 61261084) is 2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(CNCC1CC1)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is WHEKHARFQWXKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-13(8-14-7-10-1-2-10)16-11-3-5-12(6-4-11)19-9-15-17-18-19/h3-6,9-10,14H,1-2,7-8H2,(H,16,20).
What are the key properties of 2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 272.31 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 61261084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).