N-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide

C14H17N5O — CID 71916815

IUPACN-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1nnn(CC2CC2)n1)C(=O)c1ccccc1
InChIInChI=1S/C14H17N5O/c1-18(14(20)12-5-3-2-4-6-12)10-13-15-17-19(16-13)9-11-7-8-11/h2-6,11H,7-10H2,1H3
InChIKeyZMCJLFFHWNCCPM-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.36
Rot. Bonds5

About N-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide

N-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide (PubChem CID 71916815) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide
PubChem CID71916815
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1nnn(CC2CC2)n1)C(=O)c1ccccc1
InChIInChI=1S/C14H17N5O/c1-18(14(20)12-5-3-2-4-6-12)10-13-15-17-19(16-13)9-11-7-8-11/h2-6,11H,7-10H2,1H3
InChIKeyZMCJLFFHWNCCPM-UHFFFAOYSA-N
XLogP1.36
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide?
The IUPAC name of N-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide (CID 71916815) is N-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for N-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide?
The canonical SMILES for N-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide is CN(Cc1nnn(CC2CC2)n1)C(=O)c1ccccc1.
What is the InChIKey of N-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide?
The InChIKey is ZMCJLFFHWNCCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-18(14(20)12-5-3-2-4-6-12)10-13-15-17-19(16-13)9-11-7-8-11/h2-6,11H,7-10H2,1H3.
What are the key properties of N-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide?
N-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 71916815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).