2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

C14H24N4O — CID 114339595

IUPAC2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCn1ncnc1CN1CCCC1C1CCCCC1O
InChIInChI=1S/C14H24N4O/c1-17-14(15-10-16-17)9-18-8-4-6-12(18)11-5-2-3-7-13(11)19/h10-13,19H,2-9H2,1H3
InChIKeyJMMHQMGHMLDQFQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.33
Rot. Bonds3

About 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339595) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339595
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCn1ncnc1CN1CCCC1C1CCCCC1O
InChIInChI=1S/C14H24N4O/c1-17-14(15-10-16-17)9-18-8-4-6-12(18)11-5-2-3-7-13(11)19/h10-13,19H,2-9H2,1H3
InChIKeyJMMHQMGHMLDQFQ-UHFFFAOYSA-N
XLogP1.33
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

[(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 65417436
2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol
CID 114339871
2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339630
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340223
trans-(1R,2R)-2-[(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129349934
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 103024217
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride
CID 119916298
2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339641
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 65417215
tert-butyl (2R)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylate
CID 80710084
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 107078814

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339595) is 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is Cn1ncnc1CN1CCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is JMMHQMGHMLDQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-17-14(15-10-16-17)9-18-8-4-6-12(18)11-5-2-3-7-13(11)19/h10-13,19H,2-9H2,1H3.
What are the key properties of 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).