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

C14H20N4O — CID 104578489

IUPAC1-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2nnc3n2CCCC3)o1
InChIInChI=1S/C14H20N4O/c1-10-6-7-12(19-10)11(2)15-9-14-17-16-13-5-3-4-8-18(13)14/h6-7,11,15H,3-5,8-9H2,1-2H3
InChIKeyYFLVCZZOZUBTME-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.37
Rot. Bonds4

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

1-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (PubChem CID 104578489) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
PubChem CID104578489
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2nnc3n2CCCC3)o1
InChIInChI=1S/C14H20N4O/c1-10-6-7-12(19-10)11(2)15-9-14-17-16-13-5-3-4-8-18(13)14/h6-7,11,15H,3-5,8-9H2,1-2H3
InChIKeyYFLVCZZOZUBTME-UHFFFAOYSA-N
XLogP2.37
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 113428922
1-(5-methylfuran-2-yl)-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]ethanamine
CID 43746959
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
(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
(1S)-1-(3-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 107077690
2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 122138602
1-(oxolan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 113428943
N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 71929427
N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propanamide
CID 167880020
1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one
CID 107077762
N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
CID 81057329
5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 72877446

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (CID 104578489) is 1-(5-methylfuran-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 1-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is Cc1ccc(C(C)NCc2nnc3n2CCCC3)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The InChIKey is YFLVCZZOZUBTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-6-7-12(19-10)11(2)15-9-14-17-16-13-5-3-4-8-18(13)14/h6-7,11,15H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
1-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine has a molecular weight of 260.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 104578489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).