(5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol

C7H13N3O2 — CID 115396143

IUPAC(5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol
SMILESCOc1nnc(CO)n1C(C)C
InChIInChI=1S/C7H13N3O2/c1-5(2)10-6(4-11)8-9-7(10)12-3/h5,11H,4H2,1-3H3
InChIKeyJJTUNSOFZMOCMD-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.36
Rot. Bonds3

About (5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol

(5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol (PubChem CID 115396143) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is (5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol
PubChem CID115396143
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name(5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol
SMILESCOc1nnc(CO)n1C(C)C
InChIInChI=1S/C7H13N3O2/c1-5(2)10-6(4-11)8-9-7(10)12-3/h5,11H,4H2,1-3H3
InChIKeyJJTUNSOFZMOCMD-UHFFFAOYSA-N
XLogP0.36
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396085
[5-(methylsulfonylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396078
[5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396195
[5-(2,3,4,5,6-pentafluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396152
[4-propan-2-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 115396232
3-(bromomethyl)-5-ethoxy-4-propan-2-yl-1,2,4-triazole
CID 115399000
[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396079
2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 83880339
[5-[(3,4-difluorophenyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396125
[5-methoxy-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 83876417
[5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 114226801
[5-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396092

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol (CID 115396143) is (5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol is COc1nnc(CO)n1C(C)C.
What is the InChIKey of (5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol?
The InChIKey is JJTUNSOFZMOCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-5(2)10-6(4-11)8-9-7(10)12-3/h5,11H,4H2,1-3H3.
What are the key properties of (5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol?
(5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol has a molecular weight of 171.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-4-propan-2-yl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 115396143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).