N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine

C15H27N5 — CID 43748049

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCC(NC(C)C1CCCN(C)C1)c1nnc2n1CCC2
InChIInChI=1S/C15H27N5/c1-11(13-6-4-8-19(3)10-13)16-12(2)15-18-17-14-7-5-9-20(14)15/h11-13,16H,4-10H2,1-3H3
InChIKeyGDGCEZIOGFEMKL-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.61
Rot. Bonds4

About N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine (PubChem CID 43748049) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
PubChem CID43748049
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCC(NC(C)C1CCCN(C)C1)c1nnc2n1CCC2
InChIInChI=1S/C15H27N5/c1-11(13-6-4-8-19(3)10-13)16-12(2)15-18-17-14-7-5-9-20(14)15/h11-13,16H,4-10H2,1-3H3
InChIKeyGDGCEZIOGFEMKL-UHFFFAOYSA-N
XLogP1.61
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
3-(piperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 43142797
3-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585362
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
2-methyl-1-(5H,6H,7H-pyrrolo(2,1-c)(1,2,4)triazol-3-yl)propan-1-amine
CID 43142798
1-cyclopentyl-N-[(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]methanamine
CID 53613793
[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methyl(3-piperidinylmethyl)amine dihydrochloride
CID 70768653
(2-{4-[4-cyclopropyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-1,1-dimethylethyl)amine dihydrochloride
CID 70782280
4-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidine
CID 45097111
3-(piperidin-3-yl)-6,7-dihydro-5H-pyrrolo(2,1-c)(1,2,4)triazole hydrochloride
CID 50988054
4-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}cyclohexan-1-amine
CID 60810840
4-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-tetrahydro-1H-pyrrol-3-ylpiperidine
CID 53192542

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine (CID 43748049) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine is CC(NC(C)C1CCCN(C)C1)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The InChIKey is GDGCEZIOGFEMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-11(13-6-4-8-19(3)10-13)16-12(2)15-18-17-14-7-5-9-20(14)15/h11-13,16H,4-10H2,1-3H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine has a molecular weight of 277.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 43748049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).