3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one

C9H16N6O — CID 82509687

IUPAC3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCc1nnnn1CCC(=O)N1CCNCC1
InChIInChI=1S/C9H16N6O/c1-8-11-12-13-15(8)5-2-9(16)14-6-3-10-4-7-14/h10H,2-7H2,1H3
InChIKeyYFWKMJQLEHOPMQ-UHFFFAOYSA-N
MW224.27 g/mol
LogP-1.20
Rot. Bonds3

About 3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one

3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 82509687) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID82509687
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCc1nnnn1CCC(=O)N1CCNCC1
InChIInChI=1S/C9H16N6O/c1-8-11-12-13-15(8)5-2-9(16)14-6-3-10-4-7-14/h10H,2-7H2,1H3
InChIKeyYFWKMJQLEHOPMQ-UHFFFAOYSA-N
XLogP-1.20
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70729575
1-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118787851
1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118786989
methyl 3-(5-methyltetrazol-1-yl)propanoate
CID 59922425
2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone
CID 84759786
1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70756628
1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70772514
1-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 133138453
1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one
CID 82507429
2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70740209
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone
CID 82508040
2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92565937

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one (CID 82509687) is 3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one is Cc1nnnn1CCC(=O)N1CCNCC1.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is YFWKMJQLEHOPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c1-8-11-12-13-15(8)5-2-9(16)14-6-3-10-4-7-14/h10H,2-7H2,1H3.
What are the key properties of 3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one?
3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 224.27 g/mol, XLogP of -1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82509687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).