[5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol

C14H23N7O — CID 99949289

IUPAC[5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1ncnc1CN1CCC[C@H](c2nnc(CO)n2C)C1
InChIInChI=1S/C14H23N7O/c1-3-21-12(15-10-16-21)8-20-6-4-5-11(7-20)14-18-17-13(9-22)19(14)2/h10-11,22H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyBZPWWXAJGQNTOF-NSHDSACASA-N
MW305.39 g/mol
LogP0.30
Rot. Bonds5

About [5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol

[5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 99949289) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is [5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID99949289
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name[5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1ncnc1CN1CCC[C@H](c2nnc(CO)n2C)C1
InChIInChI=1S/C14H23N7O/c1-3-21-12(15-10-16-21)8-20-6-4-5-11(7-20)14-18-17-13(9-22)19(14)2/h10-11,22H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyBZPWWXAJGQNTOF-NSHDSACASA-N
XLogP0.30
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol
CID 134702676
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol
CID 114502580
1-ethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70786765
3-(bromomethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 80679311
1-[[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine
CID 99929588
(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylphenyl)piperidine
CID 99939381
[5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 124758048
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
(4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylazepane
CID 99838451
[4-methyl-5-[(3R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol
CID 124756495
4-[[5-[(3R)-1-ethylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95873162
2-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 70756476

Frequently Asked Questions

What is the IUPAC name of [5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol (CID 99949289) is [5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol is CCn1ncnc1CN1CCC[C@H](c2nnc(CO)n2C)C1.
What is the InChIKey of [5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is BZPWWXAJGQNTOF-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N7O/c1-3-21-12(15-10-16-21)8-20-6-4-5-11(7-20)14-18-17-13(9-22)19(14)2/h10-11,22H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of [5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 305.39 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 99949289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).