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

C9H16N4O — CID 117151101

IUPAC3-(7-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-ol
SMILESNC1CCn2c(CCCO)nnc2C1
InChIInChI=1S/C9H16N4O/c10-7-3-4-13-8(2-1-5-14)11-12-9(13)6-7/h7,14H,1-6,10H2
InChIKeyBPIOIOCQYWNLKY-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.52
Rot. Bonds3

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

3-(7-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-ol (PubChem CID 117151101) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(7-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(7-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-ol
PubChem CID117151101
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-(7-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-ol
SMILESNC1CCn2c(CCCO)nnc2C1
InChIInChI=1S/C9H16N4O/c10-7-3-4-13-8(2-1-5-14)11-12-9(13)6-7/h7,14H,1-6,10H2
InChIKeyBPIOIOCQYWNLKY-UHFFFAOYSA-N
XLogP-0.52
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propan-1-ol
CID 165420775
2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 117151111
(3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine
CID 105392323
3-(7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-ol
CID 117156381
formic acid;3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propan-1-ol
CID 166597904
3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117151456
3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117151642
[3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392348
[3-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392313
3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 47003546
3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117151601
2-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanol
CID 117151107

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-ol?
The IUPAC name of 3-(7-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-ol (CID 117151101) is 3-(7-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(7-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-ol?
The canonical SMILES for 3-(7-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-ol is NC1CCn2c(CCCO)nnc2C1.
What is the InChIKey of 3-(7-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-ol?
The InChIKey is BPIOIOCQYWNLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c10-7-3-4-13-8(2-1-5-14)11-12-9(13)6-7/h7,14H,1-6,10H2.
What are the key properties of 3-(7-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-ol?
3-(7-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-ol has a molecular weight of 196.25 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-ol is sourced from PubChem (CID 117151101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).