1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

C13H15N5O — CID 166313518

IUPAC1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(-c2nn[nH]n2)cc1NC(=O)C1(C)CC1
InChIInChI=1S/C13H15N5O/c1-8-3-4-9(11-15-17-18-16-11)7-10(8)14-12(19)13(2)5-6-13/h3-4,7H,5-6H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeyYCAXGDKTXROVEZ-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.91
Rot. Bonds3

About 1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 166313518) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID166313518
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(-c2nn[nH]n2)cc1NC(=O)C1(C)CC1
InChIInChI=1S/C13H15N5O/c1-8-3-4-9(11-15-17-18-16-11)7-10(8)14-12(19)13(2)5-6-13/h3-4,7H,5-6H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeyYCAXGDKTXROVEZ-UHFFFAOYSA-N
XLogP1.91
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (CID 166313518) is 1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C1(C)CC1.
What is the InChIKey of 1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is YCAXGDKTXROVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8-3-4-9(11-15-17-18-16-11)7-10(8)14-12(19)13(2)5-6-13/h3-4,7H,5-6H2,1-2H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166313518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).