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

C17H23N5 — CID 99821769

IUPAC(1S)-1-cyclopropyl-2-pyridin-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESc1ccc(C[C@H](NCc2nnc3n2CCCC3)C2CC2)nc1
InChIInChI=1S/C17H23N5/c1-3-9-18-14(5-1)11-15(13-7-8-13)19-12-17-21-20-16-6-2-4-10-22(16)17/h1,3,5,9,13,15,19H,2,4,6-8,10-12H2/t15-/m0/s1
InChIKeyFLURAWJOBVQSEM-HNNXBMFYSA-N
MW297.41 g/mol
LogP2.12
Rot. Bonds6

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

(1S)-1-cyclopropyl-2-pyridin-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (PubChem CID 99821769) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-2-pyridin-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-2-pyridin-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
PubChem CID99821769
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name(1S)-1-cyclopropyl-2-pyridin-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESc1ccc(C[C@H](NCc2nnc3n2CCCC3)C2CC2)nc1
InChIInChI=1S/C17H23N5/c1-3-9-18-14(5-1)11-15(13-7-8-13)19-12-17-21-20-16-6-2-4-10-22(16)17/h1,3,5,9,13,15,19H,2,4,6-8,10-12H2/t15-/m0/s1
InChIKeyFLURAWJOBVQSEM-HNNXBMFYSA-N
XLogP2.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-cyclopropyl-2-pyridin-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine with MolForge

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Related Compounds

3-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 136559880
1-cyclohexyl-N-methyl-2-pyridin-2-ylethanamine
CID 60819908
1-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 113428922
N'-methyl-4-pyridin-2-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazine-1-carboximidamide
CID 111220055
(1R)-3-methyl-1-pyridin-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]butan-1-amine
CID 97229601
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 56794010
(2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
CID 99777622
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 113429056
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)cyclopentanamine
CID 60664034
2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]guanidine
CID 111194496
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 60600060
2-phenoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 107077354

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-2-pyridin-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-cyclopropyl-2-pyridin-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (CID 99821769) is (1S)-1-cyclopropyl-2-pyridin-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-cyclopropyl-2-pyridin-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-cyclopropyl-2-pyridin-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is c1ccc(C[C@H](NCc2nnc3n2CCCC3)C2CC2)nc1.
What is the InChIKey of (1S)-1-cyclopropyl-2-pyridin-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The InChIKey is FLURAWJOBVQSEM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5/c1-3-9-18-14(5-1)11-15(13-7-8-13)19-12-17-21-20-16-6-2-4-10-22(16)17/h1,3,5,9,13,15,19H,2,4,6-8,10-12H2/t15-/m0/s1.
What are the key properties of (1S)-1-cyclopropyl-2-pyridin-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
(1S)-1-cyclopropyl-2-pyridin-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine has a molecular weight of 297.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-2-pyridin-2-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 99821769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).