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

C7H11N3O — CID 71695279

IUPAC(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanol
SMILESCc1nnc(CO)n1C1CC1
InChIInChI=1S/C7H11N3O/c1-5-8-9-7(4-11)10(5)6-2-3-6/h6,11H,2-4H2,1H3
InChIKeyVXUMQPPXFQVYTM-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.41
Rot. Bonds2

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

(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanol (PubChem CID 71695279) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanol
PubChem CID71695279
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanol
SMILESCc1nnc(CO)n1C1CC1
InChIInChI=1S/C7H11N3O/c1-5-8-9-7(4-11)10(5)6-2-3-6/h6,11H,2-4H2,1H3
InChIKeyVXUMQPPXFQVYTM-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
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
1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol
CID 13624273
4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methanol
CID 84647940
(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
(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757969
[4-Propan-2-yl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
CID 103213633
[4-Cyclopropyl-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213634
[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-(4,4,4-Trifluorobutan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 105932700

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanol (CID 71695279) is (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanol is Cc1nnc(CO)n1C1CC1.
What is the InChIKey of (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is VXUMQPPXFQVYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-8-9-7(4-11)10(5)6-2-3-6/h6,11H,2-4H2,1H3.
What are the key properties of (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanol?
(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 153.18 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 71695279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).