N-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide

C12H13N5O — CID 712037

IUPACN-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(NC1CC1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C12H13N5O/c18-12(14-11-5-6-11)10-3-1-9(2-4-10)7-17-8-13-15-16-17/h1-4,8,11H,5-7H2,(H,14,18)
InChIKeyCFCKAJROSXCYQM-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.61
Rot. Bonds4

About N-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide

N-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 712037) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID712037
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(NC1CC1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C12H13N5O/c18-12(14-11-5-6-11)10-3-1-9(2-4-10)7-17-8-13-15-16-17/h1-4,8,11H,5-7H2,(H,14,18)
InChIKeyCFCKAJROSXCYQM-UHFFFAOYSA-N
XLogP0.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide (CID 712037) is N-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide is O=C(NC1CC1)c1ccc(Cn2cnnn2)cc1.
What is the InChIKey of N-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is CFCKAJROSXCYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c18-12(14-11-5-6-11)10-3-1-9(2-4-10)7-17-8-13-15-16-17/h1-4,8,11H,5-7H2,(H,14,18).
What are the key properties of N-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide?
N-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 243.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 712037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).