N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine

C9H16N4S — CID 64722683

IUPACN-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine
SMILESCNC1CCC(Sc2n[nH]c(C)n2)C1
InChIInChI=1S/C9H16N4S/c1-6-11-9(13-12-6)14-8-4-3-7(5-8)10-2/h7-8,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyJCPNTVAKDGDPHD-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.35
Rot. Bonds3

About N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine

N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine (PubChem CID 64722683) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine
PubChem CID64722683
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine
SMILESCNC1CCC(Sc2n[nH]c(C)n2)C1
InChIInChI=1S/C9H16N4S/c1-6-11-9(13-12-6)14-8-4-3-7(5-8)10-2/h7-8,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyJCPNTVAKDGDPHD-UHFFFAOYSA-N
XLogP1.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine?
The IUPAC name of N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine (CID 64722683) is N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine is CNC1CCC(Sc2n[nH]c(C)n2)C1.
What is the InChIKey of N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine?
The InChIKey is JCPNTVAKDGDPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-6-11-9(13-12-6)14-8-4-3-7(5-8)10-2/h7-8,10H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine?
N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine has a molecular weight of 212.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine is sourced from PubChem (CID 64722683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).