(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol

C7H11N3O — CID 71757969

IUPAC(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol
SMILESCn1c(CO)nnc1C1CC1
InChIInChI=1S/C7H11N3O/c1-10-6(4-11)8-9-7(10)5-2-3-5/h5,11H,2-4H2,1H3
InChIKeyMDAAYJPPOBUTNZ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.18
Rot. Bonds2

About (5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol

(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol (PubChem CID 71757969) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is (5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol
PubChem CID71757969
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol
SMILESCn1c(CO)nnc1C1CC1
InChIInChI=1S/C7H11N3O/c1-10-6(4-11)8-9-7(10)5-2-3-5/h5,11H,2-4H2,1H3
InChIKeyMDAAYJPPOBUTNZ-UHFFFAOYSA-N
XLogP0.18
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(dimethyl-4H-1,2,4-triazol-3-yl)methanol
CID 18726738
4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}methanol
CID 66489696
(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71695279
(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol
CID 97444804
[5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 103311289
[4-Cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 103311290
[4-Ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 103311292
[5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 103311293
[5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 103311294

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol (CID 71757969) is (5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol is Cn1c(CO)nnc1C1CC1.
What is the InChIKey of (5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is MDAAYJPPOBUTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-10-6(4-11)8-9-7(10)5-2-3-5/h5,11H,2-4H2,1H3.
What are the key properties of (5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol?
(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 153.18 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 71757969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).