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

C8H15N5S — CID 82508707

IUPAC3-[1-(aminomethyl)cyclopentyl]sulfanyl-1,2,4-triazol-4-amine
SMILESNCC1(Sc2nncn2N)CCCC1
InChIInChI=1S/C8H15N5S/c9-5-8(3-1-2-4-8)14-7-12-11-6-13(7)10/h6H,1-5,9-10H2
InChIKeyKEGYYEOVRBXKMH-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.36
Rot. Bonds3

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

3-[1-(aminomethyl)cyclopentyl]sulfanyl-1,2,4-triazol-4-amine (PubChem CID 82508707) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclopentyl]sulfanyl-1,2,4-triazol-4-amine
PubChem CID82508707
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name3-[1-(aminomethyl)cyclopentyl]sulfanyl-1,2,4-triazol-4-amine
SMILESNCC1(Sc2nncn2N)CCCC1
InChIInChI=1S/C8H15N5S/c9-5-8(3-1-2-4-8)14-7-12-11-6-13(7)10/h6H,1-5,9-10H2
InChIKeyKEGYYEOVRBXKMH-UHFFFAOYSA-N
XLogP0.36
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1,2,4-triazol-4-amine (CID 82508707) is 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1,2,4-triazol-4-amine is NCC1(Sc2nncn2N)CCCC1.
What is the InChIKey of 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1,2,4-triazol-4-amine?
The InChIKey is KEGYYEOVRBXKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c9-5-8(3-1-2-4-8)14-7-12-11-6-13(7)10/h6H,1-5,9-10H2.
What are the key properties of 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1,2,4-triazol-4-amine?
3-[1-(aminomethyl)cyclopentyl]sulfanyl-1,2,4-triazol-4-amine has a molecular weight of 213.31 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclopentyl]sulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 82508707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).