(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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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).