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

C7H13N5O — CID 112629409

IUPAC[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol
SMILESNc1nc(N2CCC(CO)C2)n[nH]1
InChIInChI=1S/C7H13N5O/c8-6-9-7(11-10-6)12-2-1-5(3-12)4-13/h5,13H,1-4H2,(H3,8,9,10,11)
InChIKeyHKHAUEWMNLOAOB-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.79
Rot. Bonds2

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

[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol (PubChem CID 112629409) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is [1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol
PubChem CID112629409
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol
SMILESNc1nc(N2CCC(CO)C2)n[nH]1
InChIInChI=1S/C7H13N5O/c8-6-9-7(11-10-6)12-2-1-5(3-12)4-13/h5,13H,1-4H2,(H3,8,9,10,11)
InChIKeyHKHAUEWMNLOAOB-UHFFFAOYSA-N
XLogP-0.79
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol
CID 114802720
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
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
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112
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
3-[4-[[(4-chlorophenyl)methylamino]methyl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 123362757
3-[4-[[(4-bromophenyl)methylamino]methyl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 118165244

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol (CID 112629409) is [1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol is Nc1nc(N2CCC(CO)C2)n[nH]1.
What is the InChIKey of [1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol?
The InChIKey is HKHAUEWMNLOAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c8-6-9-7(11-10-6)12-2-1-5(3-12)4-13/h5,13H,1-4H2,(H3,8,9,10,11).
What are the key properties of [1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol?
[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol has a molecular weight of 183.21 g/mol, XLogP of -0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112629409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).