N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine

C18H24N8S — CID 9025927

IUPACN-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine
SMILESCSc1nnc(CCCNc2nnnn2-c2ccccc2)n1C1CCCC1
InChIInChI=1S/C18H24N8S/c1-27-18-22-20-16(25(18)14-8-5-6-9-14)12-7-13-19-17-21-23-24-26(17)15-10-3-2-4-11-15/h2-4,10-11,14H,5-9,12-13H2,1H3,(H,19,21,24)
InChIKeyUOZWEJONSLFGCA-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.14
Rot. Bonds8

About N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine

N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine (PubChem CID 9025927) has the molecular formula C18H24N8S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine
PubChem CID9025927
Molecular FormulaC18H24N8S
Molecular Weight384.51 g/mol
Exact Mass384.18
IUPAC NameN-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine
SMILESCSc1nnc(CCCNc2nnnn2-c2ccccc2)n1C1CCCC1
InChIInChI=1S/C18H24N8S/c1-27-18-22-20-16(25(18)14-8-5-6-9-14)12-7-13-19-17-21-23-24-26(17)15-10-3-2-4-11-15/h2-4,10-11,14H,5-9,12-13H2,1H3,(H,19,21,24)
InChIKeyUOZWEJONSLFGCA-UHFFFAOYSA-N
XLogP3.14
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 51213819
1-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135652
1-(2-chlorophenyl)-3-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]urea
CID 51290563
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 51213813
3-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylcarbamoylamino]propanoic acid
CID 122000614
(4R)-3-benzoyl-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 55942254
1-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192379
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine
CID 125435857
(5S)-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51966805
2-chloro-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-nitroaniline
CID 9025932
1-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111348854

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine (CID 9025927) is N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine is CSc1nnc(CCCNc2nnnn2-c2ccccc2)n1C1CCCC1.
What is the InChIKey of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine?
The InChIKey is UOZWEJONSLFGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8S/c1-27-18-22-20-16(25(18)14-8-5-6-9-14)12-7-13-19-17-21-23-24-26(17)15-10-3-2-4-11-15/h2-4,10-11,14H,5-9,12-13H2,1H3,(H,19,21,24).
What are the key properties of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine?
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine has a molecular weight of 384.51 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 9025927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).