3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine

C8H15N5S — CID 82508708

IUPAC3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine
SMILESNCC1(Sc2n[nH]c(N)n2)CCCC1
InChIInChI=1S/C8H15N5S/c9-5-8(3-1-2-4-8)14-7-11-6(10)12-13-7/h1-5,9H2,(H3,10,11,12,13)
InChIKeyLPRMUEOQLJBCEW-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.75
Rot. Bonds3

About 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine

3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine (PubChem CID 82508708) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine
PubChem CID82508708
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine
SMILESNCC1(Sc2n[nH]c(N)n2)CCCC1
InChIInChI=1S/C8H15N5S/c9-5-8(3-1-2-4-8)14-7-11-6(10)12-13-7/h1-5,9H2,(H3,10,11,12,13)
InChIKeyLPRMUEOQLJBCEW-UHFFFAOYSA-N
XLogP0.75
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine
CID 82508555
3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 131219759
3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine
CID 82504387
3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 6917260
3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 4257341
[1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine
CID 82508692
[1-(4-fluorophenyl)sulfanylcyclobutyl]methanamine
CID 66071975
potassium (5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl-trifluoroboranuide
CID 63704198
(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol
CID 6917258
3-[1-(aminomethyl)cyclopentyl]sulfanyl-1,2,4-triazol-4-amine
CID 82508707
3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 132554513
3-(8-azaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-amine
CID 66276897

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine (CID 82508708) is 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine is NCC1(Sc2n[nH]c(N)n2)CCCC1.
What is the InChIKey of 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine?
The InChIKey is LPRMUEOQLJBCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c9-5-8(3-1-2-4-8)14-7-11-6(10)12-13-7/h1-5,9H2,(H3,10,11,12,13).
What are the key properties of 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine?
3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine has a molecular weight of 213.31 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 82508708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).