2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol

C12H18N6O — CID 106621339

IUPAC2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol
SMILESOCCN(CC1CCCN1)c1nccn2cnnc12
InChIInChI=1S/C12H18N6O/c19-7-6-17(8-10-2-1-3-13-10)11-12-16-15-9-18(12)5-4-14-11/h4-5,9-10,13,19H,1-3,6-8H2
InChIKeyHVXHUDJQDYTLRU-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.32
Rot. Bonds5

About 2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol

2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol (PubChem CID 106621339) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol.

Molecular Properties

Compound Name2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol
PubChem CID106621339
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol
SMILESOCCN(CC1CCCN1)c1nccn2cnnc12
InChIInChI=1S/C12H18N6O/c19-7-6-17(8-10-2-1-3-13-10)11-12-16-15-9-18(12)5-4-14-11/h4-5,9-10,13,19H,1-3,6-8H2
InChIKeyHVXHUDJQDYTLRU-UHFFFAOYSA-N
XLogP-0.32
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106621438
1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one
CID 106621403
2-[(1-methylimidazol-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621365
3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 107061419
2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621171
2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621130
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106619653
2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621253
1-cyclopropyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one
CID 106619895
2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618380
2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 106621340
2-[(5-methyl-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621156

Frequently Asked Questions

What is the IUPAC name of 2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol?
The IUPAC name of 2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol (CID 106621339) is 2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol.
What is the SMILES notation for 2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol?
The canonical SMILES for 2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol is OCCN(CC1CCCN1)c1nccn2cnnc12.
What is the InChIKey of 2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol?
The InChIKey is HVXHUDJQDYTLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c19-7-6-17(8-10-2-1-3-13-10)11-12-16-15-9-18(12)5-4-14-11/h4-5,9-10,13,19H,1-3,6-8H2.
What are the key properties of 2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol?
2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol has a molecular weight of 262.32 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol is sourced from PubChem (CID 106621339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).