1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

C14H25N5 — CID 107077080

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESCCN1CCCC1CNCc1nnc2n1CCCC2
InChIInChI=1S/C14H25N5/c1-2-18-8-5-6-12(18)10-15-11-14-17-16-13-7-3-4-9-19(13)14/h12,15H,2-11H2,1H3
InChIKeyAYLGBNSPDDREQA-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.19
Rot. Bonds5

About 1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (PubChem CID 107077080) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
PubChem CID107077080
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESCCN1CCCC1CNCc1nnc2n1CCCC2
InChIInChI=1S/C14H25N5/c1-2-18-8-5-6-12(18)10-15-11-14-17-16-13-7-3-4-9-19(13)14/h12,15H,2-11H2,1H3
InChIKeyAYLGBNSPDDREQA-UHFFFAOYSA-N
XLogP1.19
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 107078749
1-(1-methylpiperidin-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 107077372
[2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol
CID 107077626
N-ethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide
CID 107077197
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-1-amine
CID 107077543
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 43088242
N-ethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 81055898
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
3-pyrrolidin-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 107077486
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
2-(1-methylpiperidin-4-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 107077852
N-methoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 82654891

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (CID 107077080) is 1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is CCN1CCCC1CNCc1nnc2n1CCCC2.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The InChIKey is AYLGBNSPDDREQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-2-18-8-5-6-12(18)10-15-11-14-17-16-13-7-3-4-9-19(13)14/h12,15H,2-11H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine has a molecular weight of 263.39 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 107077080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).