3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine

C11H15N5S — CID 18342151

IUPAC3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine
SMILESc1csc(CNc2nc(N3CCCC3)n[nH]2)c1
InChIInChI=1S/C11H15N5S/c1-2-6-16(5-1)11-13-10(14-15-11)12-8-9-4-3-7-17-9/h3-4,7H,1-2,5-6,8H2,(H2,12,13,14,15)
InChIKeyMNWNQEIOOIJUFX-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.08
Rot. Bonds4

About 3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine

3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine (PubChem CID 18342151) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine
PubChem CID18342151
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine
SMILESc1csc(CNc2nc(N3CCCC3)n[nH]2)c1
InChIInChI=1S/C11H15N5S/c1-2-6-16(5-1)11-13-10(14-15-11)12-8-9-4-3-7-17-9/h3-4,7H,1-2,5-6,8H2,(H2,12,13,14,15)
InChIKeyMNWNQEIOOIJUFX-UHFFFAOYSA-N
XLogP2.08
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylthio)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine
CID 973008
1-(methylsulfonyl)-N,N'-bis(2-thienylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 2980460
1-butyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
CID 1817890
1-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)imidazolidine-2-thione
CID 172436984
1-ethyl-N-(thiophen-2-ylmethyl)-1H-tetrazol-5-amine
CID 4727449
N5-(Thiophen-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 2726523
n-(Thiophen-2-ylmethyl)-2-(1h-1,2,4-triazol-1-yl)ethan-1-amine
CID 61940746
3-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 2740028
1-prop-2-enyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
CID 4726348
1-propyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
CID 4727226
5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine
CID 18700015
N-[2-[[5-[(dimethylamino)methyl]thiophen-2-yl]methylsulfanyl]ethyl]-2-methyl-1,2,4-triazol-3-amine
CID 20270328

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine (CID 18342151) is 3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine is c1csc(CNc2nc(N3CCCC3)n[nH]2)c1.
What is the InChIKey of 3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is MNWNQEIOOIJUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-2-6-16(5-1)11-13-10(14-15-11)12-8-9-4-3-7-17-9/h3-4,7H,1-2,5-6,8H2,(H2,12,13,14,15).
What are the key properties of 3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine?
3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 249.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 18342151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).