3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine

C7H13N5S — CID 62371655

IUPAC3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1cnnc1SCC1CCNC1
InChIInChI=1S/C7H13N5S/c8-12-5-10-11-7(12)13-4-6-1-2-9-3-6/h5-6,9H,1-4,8H2
InChIKeyYCXXSFFZRCMDFV-UHFFFAOYSA-N
MW199.28 g/mol
LogP-0.31
Rot. Bonds3

About 3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine

3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine (PubChem CID 62371655) has the molecular formula C7H13N5S and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine
PubChem CID62371655
Molecular FormulaC7H13N5S
Molecular Weight199.28 g/mol
Exact Mass199.09
IUPAC Name3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1cnnc1SCC1CCNC1
InChIInChI=1S/C7H13N5S/c8-12-5-10-11-7(12)13-4-6-1-2-9-3-6/h5-6,9H,1-4,8H2
InChIKeyYCXXSFFZRCMDFV-UHFFFAOYSA-N
XLogP-0.31
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine 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

3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine
CID 62357559
1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole
CID 62371631
4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride
CID 71303201
2-methyl-3-(pyrrolidin-3-ylmethylsulfanyl)-1H-1,2,4-triazine-5,6-dione
CID 107786507
4-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-triazole
CID 97011669
5-(pyrrolidin-3-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 62371632
3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 62357888
2-chloro-4-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163842
2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine
CID 94408883
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide
CID 859358
4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 63697837
3-(cycloheptylmethylsulfanyl)-4-methyl-1,2,4-triazole
CID 86790923

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine (CID 62371655) is 3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine is Nn1cnnc1SCC1CCNC1.
What is the InChIKey of 3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine?
The InChIKey is YCXXSFFZRCMDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S/c8-12-5-10-11-7(12)13-4-6-1-2-9-3-6/h5-6,9H,1-4,8H2.
What are the key properties of 3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine?
3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine has a molecular weight of 199.28 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 62371655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).