N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C18H22N4O — CID 56780960

IUPACN-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCC(C)c1nc2n(n1)CC(NCc1cc3ccccc3o1)CC2
InChIInChI=1S/C18H22N4O/c1-12(2)18-20-17-8-7-14(11-22(17)21-18)19-10-15-9-13-5-3-4-6-16(13)23-15/h3-6,9,12,14,19H,7-8,10-11H2,1-2H3
InChIKeyWAAKBGJEGSDKHS-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.25
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 56780960) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID56780960
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCC(C)c1nc2n(n1)CC(NCc1cc3ccccc3o1)CC2
InChIInChI=1S/C18H22N4O/c1-12(2)18-20-17-8-7-14(11-22(17)21-18)19-10-15-9-13-5-3-4-6-16(13)23-15/h3-6,9,12,14,19H,7-8,10-11H2,1-2H3
InChIKeyWAAKBGJEGSDKHS-UHFFFAOYSA-N
XLogP3.25
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127567
2-[[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95351895
(6S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95341679
3-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]benzonitrile
CID 119124039
N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine
CID 54950067
N-[(5-methylpyrazin-2-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 71932904
2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780081
(6R)-N-[(4-methylsulfonylphenyl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95339675
(6S)-2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95607520
(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95610696
N-(1-benzofuran-2-ylmethyl)cyclopentanamine
CID 28610923
N,N-diethyl-5-[[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-1,3-thiazol-2-amine
CID 95610713

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 56780960) is N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CC(C)c1nc2n(n1)CC(NCc1cc3ccccc3o1)CC2.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is WAAKBGJEGSDKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12(2)18-20-17-8-7-14(11-22(17)21-18)19-10-15-9-13-5-3-4-6-16(13)23-15/h3-6,9,12,14,19H,7-8,10-11H2,1-2H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 310.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 56780960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).