3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol

C17H24N4O — CID 124627975

IUPAC3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol
SMILESCC(C)c1nnc2n1C[C@H](N[C@H](C)c1cccc(O)c1)CC2
InChIInChI=1S/C17H24N4O/c1-11(2)17-20-19-16-8-7-14(10-21(16)17)18-12(3)13-5-4-6-15(22)9-13/h4-6,9,11-12,14,18,22H,7-8,10H2,1-3H3/t12-,14-/m1/s1
InChIKeyGVQZKOOIXIDZHM-TZMCWYRMSA-N
MW300.41 g/mol
LogP2.77
Rot. Bonds4

About 3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol

3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol (PubChem CID 124627975) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol
PubChem CID124627975
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol
SMILESCC(C)c1nnc2n1C[C@H](N[C@H](C)c1cccc(O)c1)CC2
InChIInChI=1S/C17H24N4O/c1-11(2)17-20-19-16-8-7-14(10-21(16)17)18-12(3)13-5-4-6-15(22)9-13/h4-6,9,11-12,14,18,22H,7-8,10H2,1-3H3/t12-,14-/m1/s1
InChIKeyGVQZKOOIXIDZHM-TZMCWYRMSA-N
XLogP2.77
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol with MolForge

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Launch Full Analysis

Related Compounds

3-[1-(thian-4-ylamino)ethyl]phenol
CID 43748609
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772863
cis-(1S,3R)-3-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 125141418
3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699
3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 113350639
4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide
CID 97316005
1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 75473933
3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol
CID 43791625
3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
CID 43748459
N-[(5-chlorothiophen-2-yl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772945
methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate
CID 91648625
3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol
CID 43709481

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol?
The IUPAC name of 3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol (CID 124627975) is 3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol.
What is the SMILES notation for 3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol?
The canonical SMILES for 3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol is CC(C)c1nnc2n1C[C@H](N[C@H](C)c1cccc(O)c1)CC2.
What is the InChIKey of 3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol?
The InChIKey is GVQZKOOIXIDZHM-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(2)17-20-19-16-8-7-14(10-21(16)17)18-12(3)13-5-4-6-15(22)9-13/h4-6,9,11-12,14,18,22H,7-8,10H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of 3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol?
3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol has a molecular weight of 300.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol is sourced from PubChem (CID 124627975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).