2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol

C8H15N5O — CID 114802720

IUPAC2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol
SMILESNc1nc(N2CCC(CCO)C2)n[nH]1
InChIInChI=1S/C8H15N5O/c9-7-10-8(12-11-7)13-3-1-6(5-13)2-4-14/h6,14H,1-5H2,(H3,9,10,11,12)
InChIKeyWDHVASHJGZBAQY-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.40
Rot. Bonds3

About 2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol

2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol (PubChem CID 114802720) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol
PubChem CID114802720
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol
SMILESNc1nc(N2CCC(CCO)C2)n[nH]1
InChIInChI=1S/C8H15N5O/c9-7-10-8(12-11-7)13-3-1-6(5-13)2-4-14/h6,14H,1-5H2,(H3,9,10,11,12)
InChIKeyWDHVASHJGZBAQY-UHFFFAOYSA-N
XLogP-0.40
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol
CID 112629409
3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276249
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine
CID 66277764
2-(1-pyrimidin-2-ylpyrrolidin-3-yl)ethanol
CID 77059115
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276900
3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66277112
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid
CID 112708500
3-[4-[3-(4-chlorophenyl)butyl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 149290998
2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 115657972
3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276875
3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 79187063

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol (CID 114802720) is 2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol is Nc1nc(N2CCC(CCO)C2)n[nH]1.
What is the InChIKey of 2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is WDHVASHJGZBAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c9-7-10-8(12-11-7)13-3-1-6(5-13)2-4-14/h6,14H,1-5H2,(H3,9,10,11,12).
What are the key properties of 2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol?
2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 197.24 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114802720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).