[4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine

C14H22N4OS — CID 79902690

IUPAC[4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(SC2CCOC3(CCC3)C2)n1C1CC1
InChIInChI=1S/C14H22N4OS/c15-9-12-16-17-13(18(12)10-2-3-10)20-11-4-7-19-14(8-11)5-1-6-14/h10-11H,1-9,15H2
InChIKeyIMHBLQTZEFDUKA-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.27
Rot. Bonds4

About [4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine

[4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 79902690) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is [4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID79902690
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name[4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(SC2CCOC3(CCC3)C2)n1C1CC1
InChIInChI=1S/C14H22N4OS/c15-9-12-16-17-13(18(12)10-2-3-10)20-11-4-7-19-14(8-11)5-1-6-14/h10-11H,1-9,15H2
InChIKeyIMHBLQTZEFDUKA-UHFFFAOYSA-N
XLogP2.27
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-methyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-4-yl]ethanamine
CID 79905426
[5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630436
[4-cyclopropyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63314462
2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine
CID 79905570
[4-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63314202
2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)aniline
CID 79906285
4-[[(9R)-6-oxaspiro[4.5]decan-9-yl]sulfanyl]-2H-triazole
CID 125420580
[4-cyclopropyl-5-(2-ethylbutylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 82927901
6-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]hexan-1-ol
CID 107703973
[4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 55206590
2-methyl-3-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)aniline
CID 79906014
5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine
CID 131036071

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine (CID 79902690) is [4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine is NCc1nnc(SC2CCOC3(CCC3)C2)n1C1CC1.
What is the InChIKey of [4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is IMHBLQTZEFDUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c15-9-12-16-17-13(18(12)10-2-3-10)20-11-4-7-19-14(8-11)5-1-6-14/h10-11H,1-9,15H2.
What are the key properties of [4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
[4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 79902690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).