(1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine

C16H22N4S — CID 97159489

IUPAC(1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1csc([C@@H](NCc2nnc3n2CCC3)C2CCCC2)c1
InChIInChI=1S/C16H22N4S/c1-2-6-12(5-1)16(13-7-4-10-21-13)17-11-15-19-18-14-8-3-9-20(14)15/h4,7,10,12,16-17H,1-3,5-6,8-9,11H2/t16-/m0/s1
InChIKeyOPVNOPOIUDMABX-INIZCTEOSA-N
MW302.45 g/mol
LogP3.31
Rot. Bonds5

About (1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine

(1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine (PubChem CID 97159489) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine
PubChem CID97159489
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name(1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1csc([C@@H](NCc2nnc3n2CCC3)C2CCCC2)c1
InChIInChI=1S/C16H22N4S/c1-2-6-12(5-1)16(13-7-4-10-21-13)17-11-15-19-18-14-8-3-9-20(14)15/h4,7,10,12,16-17H,1-3,5-6,8-9,11H2/t16-/m0/s1
InChIKeyOPVNOPOIUDMABX-INIZCTEOSA-N
XLogP3.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768039
1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-3-(1-thiophen-2-ylethyl)urea
CID 51077775
1-cyclopentyl-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43740567
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 43740648
1-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62847543
1-cyclopentyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103898804
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115888475
1-(2-methyl-1-thiophen-2-ylpropyl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 51083706
1-cyclopentyl-N-[(1-ethylpyrrol-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 66414954
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60713993
1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62741804

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine (CID 97159489) is (1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine is c1csc([C@@H](NCc2nnc3n2CCC3)C2CCCC2)c1.
What is the InChIKey of (1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The InChIKey is OPVNOPOIUDMABX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N4S/c1-2-6-12(5-1)16(13-7-4-10-21-13)17-11-15-19-18-14-8-3-9-20(14)15/h4,7,10,12,16-17H,1-3,5-6,8-9,11H2/t16-/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine?
(1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine has a molecular weight of 302.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 97159489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).