(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone

C16H16N8O — CID 26519874

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H16N8O/c25-15(13-3-1-4-14(11-13)24-12-19-20-21-24)22-7-9-23(10-8-22)16-17-5-2-6-18-16/h1-6,11-12H,7-10H2
InChIKeyHDMZESNYFKAXKH-UHFFFAOYSA-N
MW336.36 g/mol
LogP0.41
Rot. Bonds3

About (4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone

(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 26519874) has the molecular formula C16H16N8O and a molecular weight of 336.36 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID26519874
Molecular FormulaC16H16N8O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H16N8O/c25-15(13-3-1-4-14(11-13)24-12-19-20-21-24)22-7-9-23(10-8-22)16-17-5-2-6-18-16/h1-6,11-12H,7-10H2
InChIKeyHDMZESNYFKAXKH-UHFFFAOYSA-N
XLogP0.41
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one
CID 72844062
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122332371
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 55474017
[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 121060077
(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113704
[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122346676
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 42535906
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 32573936

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone (CID 26519874) is (4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone is O=C(c1cccc(-n2cnnn2)c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is HDMZESNYFKAXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O/c25-15(13-3-1-4-14(11-13)24-12-19-20-21-24)22-7-9-23(10-8-22)16-17-5-2-6-18-16/h1-6,11-12H,7-10H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 336.36 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 26519874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).