N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide

C12H15N5O — CID 145152753

IUPACN-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
SMILESCCCC(=O)NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C12H15N5O/c1-2-3-11(18)13-8-9-4-6-10(7-5-9)12-14-16-17-15-12/h4-7H,2-3,8H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyGPZJKLFNGUGPLF-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.28
Rot. Bonds5

About N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide

N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide (PubChem CID 145152753) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound NameN-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
PubChem CID145152753
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
SMILESCCCC(=O)NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C12H15N5O/c1-2-3-11(18)13-8-9-4-6-10(7-5-9)12-14-16-17-15-12/h4-7H,2-3,8H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyGPZJKLFNGUGPLF-UHFFFAOYSA-N
XLogP1.28
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 119778407
4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 120591918
2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 119778417
(2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide
CID 167788668
2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 99631991
N-[(4-methylphenyl)methyl]butanamide
CID 835678
(2S)-2-amino-3,3-dimethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide;hydrochloride
CID 119778410
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
CID 143877601
ethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide
CID 144632143
4-[[4-(2H-tetrazol-5-yl)anilino]methyl]benzoic acid
CID 57457060
2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 75423019

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide?
The IUPAC name of N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide (CID 145152753) is N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide.
What is the SMILES notation for N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide?
The canonical SMILES for N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide is CCCC(=O)NCc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide?
The InChIKey is GPZJKLFNGUGPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-3-11(18)13-8-9-4-6-10(7-5-9)12-14-16-17-15-12/h4-7H,2-3,8H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide?
N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide has a molecular weight of 245.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 145152753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).