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

C15H22N4O — CID 99777622

IUPAC(2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
SMILESC[C@@H](CCc1ccco1)NCc1nnc2n1CCCC2
InChIInChI=1S/C15H22N4O/c1-12(7-8-13-5-4-10-20-13)16-11-15-18-17-14-6-2-3-9-19(14)15/h4-5,10,12,16H,2-3,6-9,11H2,1H3/t12-/m0/s1
InChIKeyOJKDUQSNQDESRX-LBPRGKRZSA-N
MW274.37 g/mol
LogP2.32
Rot. Bonds6

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

(2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine (PubChem CID 99777622) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name(2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
PubChem CID99777622
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
SMILESC[C@@H](CCc1ccco1)NCc1nnc2n1CCCC2
InChIInChI=1S/C15H22N4O/c1-12(7-8-13-5-4-10-20-13)16-11-15-18-17-14-6-2-3-9-19(14)15/h4-5,10,12,16H,2-3,6-9,11H2,1H3/t12-/m0/s1
InChIKeyOJKDUQSNQDESRX-LBPRGKRZSA-N
XLogP2.32
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.32
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-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 104578489
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(furan-2-yl)butan-2-amine
CID 43804177
5-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 86950756
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
4-(furan-2-yl)-N-(2-morpholin-4-ylethyl)butan-2-amine
CID 43393721
2-methyl-1-(4-phenylbutan-2-yl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)guanidine;hydroiodide
CID 111172458
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
1-(oxolan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 113428943
(1S)-1-(3-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 107077690
4-(furan-2-carbonyl)-N'-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111167084
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)guanidine
CID 111008511

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine?
The IUPAC name of (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) is (2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine.
What is the SMILES notation for (2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine?
The canonical SMILES for (2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine is C[C@@H](CCc1ccco1)NCc1nnc2n1CCCC2.
What is the InChIKey of (2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine?
The InChIKey is OJKDUQSNQDESRX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(7-8-13-5-4-10-20-13)16-11-15-18-17-14-6-2-3-9-19(14)15/h4-5,10,12,16H,2-3,6-9,11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine?
(2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine has a molecular weight of 274.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 99777622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).