[4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol

C9H17N3O — CID 104830695

IUPAC[4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC(n1cnnc1CO)C(C)(C)C
InChIInChI=1S/C9H17N3O/c1-7(9(2,3)4)12-6-10-11-8(12)5-13/h6-7,13H,5H2,1-4H3
InChIKeyATVJNCNZLWJQLQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.38
Rot. Bonds2

About [4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol

[4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol (PubChem CID 104830695) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is [4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol
PubChem CID104830695
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name[4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC(n1cnnc1CO)C(C)(C)C
InChIInChI=1S/C9H17N3O/c1-7(9(2,3)4)12-6-10-11-8(12)5-13/h6-7,13H,5H2,1-4H3
InChIKeyATVJNCNZLWJQLQ-UHFFFAOYSA-N
XLogP1.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

4-propan-2-yl-3-(2,3,3-trimethylbutyl)-1,2,4-triazole
CID 115393954
[4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanol
CID 106390456
(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide;dihydrochloride
CID 119878824
1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 62696425
ethyl 5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxylate
CID 113458027
2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methoxy]acetic acid
CID 62696237
4-butan-2-yl-3-chloro-1,2,4-triazole
CID 63384230
2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol
CID 130758261
(4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol
CID 83026916
2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
CID 120596588
4-chloro-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]aniline
CID 62695467
2,2-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-3-oxopropanoic acid
CID 82821195

Frequently Asked Questions

What is the IUPAC name of [4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol (CID 104830695) is [4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol is CC(n1cnnc1CO)C(C)(C)C.
What is the InChIKey of [4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is ATVJNCNZLWJQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(9(2,3)4)12-6-10-11-8(12)5-13/h6-7,13H,5H2,1-4H3.
What are the key properties of [4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol?
[4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 183.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-dimethylbutan-2-yl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 104830695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).