3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol

C12H19N5O — CID 113245597

IUPAC3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nccn2cnnc12
InChIInChI=1S/C12H19N5O/c1-2-3-10(4-7-18)8-14-11-12-16-15-9-17(12)6-5-13-11/h5-6,9-10,18H,2-4,7-8H2,1H3,(H,13,14)
InChIKeyLQHPSSANTGGHRF-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.33
Rot. Bonds7

About 3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol

3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol (PubChem CID 113245597) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol
PubChem CID113245597
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nccn2cnnc12
InChIInChI=1S/C12H19N5O/c1-2-3-10(4-7-18)8-14-11-12-16-15-9-17(12)6-5-13-11/h5-6,9-10,18H,2-4,7-8H2,1H3,(H,13,14)
InChIKeyLQHPSSANTGGHRF-UHFFFAOYSA-N
XLogP1.33
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 166301524
[3-[(2-Bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol
CID 167473117
2-[1-(Tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]ethanol
CID 55064616
3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 56792027
3-Amino-3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-ol
CID 61229115
4-Methyl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol
CID 61805943
3-[2-([1,2,4]Triazolo[4,3-a]pyrazin-3-yl)ethyl]hexan-1-amine
CID 64344746
3-Ethyl-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pentan-1-amine
CID 64348264
4-Methyl-3-[2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]pentan-1-amine
CID 64357856
3-Methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pentan-1-amine
CID 64363955
3-[(3-Methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propan-1-ol
CID 64366981
N-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 64366991

Frequently Asked Questions

What is the IUPAC name of 3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol (CID 113245597) is 3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol is CCCC(CCO)CNc1nccn2cnnc12.
What is the InChIKey of 3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol?
The InChIKey is LQHPSSANTGGHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-3-10(4-7-18)8-14-11-12-16-15-9-17(12)6-5-13-11/h5-6,9-10,18H,2-4,7-8H2,1H3,(H,13,14).
What are the key properties of 3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol?
3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol has a molecular weight of 249.32 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol is sourced from PubChem (CID 113245597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).