(2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone

C13H16N6O — CID 62673813

IUPAC(2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
SMILESCC1CNCCN1C(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H16N6O/c1-10-8-14-6-7-18(10)13(20)11-2-4-12(5-3-11)19-9-15-16-17-19/h2-5,9-10,14H,6-8H2,1H3
InChIKeyQVCSIPHBRKTJCL-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.10
Rot. Bonds2

About (2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone

(2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone (PubChem CID 62673813) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
PubChem CID62673813
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name(2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
SMILESCC1CNCCN1C(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H16N6O/c1-10-8-14-6-7-18(10)13(20)11-2-4-12(5-3-11)19-9-15-16-17-19/h2-5,9-10,14H,6-8H2,1H3
InChIKeyQVCSIPHBRKTJCL-UHFFFAOYSA-N
XLogP0.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 119473019
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934963
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
[1-(4-fluorophenyl)triazol-4-yl]-(2-methylpiperazin-1-yl)methanone
CID 167776575
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 95197173
[(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 82705641
N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide
CID 66188486

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of (2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone (CID 62673813) is (2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone is CC1CNCCN1C(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of (2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is QVCSIPHBRKTJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-10-8-14-6-7-18(10)13(20)11-2-4-12(5-3-11)19-9-15-16-17-19/h2-5,9-10,14H,6-8H2,1H3.
What are the key properties of (2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
(2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 272.31 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 62673813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).