N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide

C16H19N5O — CID 125419395

IUPACN-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide
SMILESO=C(NCc1nnnn1-c1ccccc1)C1=CCCCCC1
InChIInChI=1S/C16H19N5O/c22-16(13-8-4-1-2-5-9-13)17-12-15-18-19-20-21(15)14-10-6-3-7-11-14/h3,6-8,10-11H,1-2,4-5,9,12H2,(H,17,22)
InChIKeyIWAAXDXFAPBNPX-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.17
Rot. Bonds4

About N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide

N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide (PubChem CID 125419395) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide.

Molecular Properties

Compound NameN-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide
PubChem CID125419395
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide
SMILESO=C(NCc1nnnn1-c1ccccc1)C1=CCCCCC1
InChIInChI=1S/C16H19N5O/c22-16(13-8-4-1-2-5-9-13)17-12-15-18-19-20-21(15)14-10-6-3-7-11-14/h3,6-8,10-11H,1-2,4-5,9,12H2,(H,17,22)
InChIKeyIWAAXDXFAPBNPX-UHFFFAOYSA-N
XLogP2.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide?
The IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide (CID 125419395) is N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide.
What is the SMILES notation for N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide?
The canonical SMILES for N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide is O=C(NCc1nnnn1-c1ccccc1)C1=CCCCCC1.
What is the InChIKey of N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide?
The InChIKey is IWAAXDXFAPBNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-16(13-8-4-1-2-5-9-13)17-12-15-18-19-20-21(15)14-10-6-3-7-11-14/h3,6-8,10-11H,1-2,4-5,9,12H2,(H,17,22).
What are the key properties of N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide?
N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide is sourced from PubChem (CID 125419395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).