3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C14H19N7OS — CID 47024708

IUPAC3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCn1nnnc1SCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H19N7OS/c1-19-14(16-17-18-19)23-11-5-13(22)21-9-7-20(8-10-21)12-4-2-3-6-15-12/h2-4,6H,5,7-11H2,1H3
InChIKeyKVZQYJWQZDAPIM-UHFFFAOYSA-N
MW333.42 g/mol
LogP0.44
Rot. Bonds5

About 3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 47024708) has the molecular formula C14H19N7OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID47024708
Molecular FormulaC14H19N7OS
Molecular Weight333.42 g/mol
Exact Mass333.14
IUPAC Name3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCn1nnnc1SCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H19N7OS/c1-19-14(16-17-18-19)23-11-5-13(22)21-9-7-20(8-10-21)12-4-2-3-6-15-12/h2-4,6H,5,7-11H2,1H3
InChIKeyKVZQYJWQZDAPIM-UHFFFAOYSA-N
XLogP0.44
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

3-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 78853240
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
3-(2-phenoxyethylsulfanyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86931302
1-(4-pyridin-2-ylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 47016242
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86924247
3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 120970715
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 46557397
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide
CID 113138133

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 47024708) is 3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is Cn1nnnc1SCCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is KVZQYJWQZDAPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7OS/c1-19-14(16-17-18-19)23-11-5-13(22)21-9-7-20(8-10-21)12-4-2-3-6-15-12/h2-4,6H,5,7-11H2,1H3.
What are the key properties of 3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 333.42 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 47024708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).