[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol

C9H10N4O — CID 79600258

IUPAC[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCc1ccnc(-c2n[nH]c(CO)n2)c1
InChIInChI=1S/C9H10N4O/c1-6-2-3-10-7(4-6)9-11-8(5-14)12-13-9/h2-4,14H,5H2,1H3,(H,11,12,13)
InChIKeyOIRSIFYRWRHPLP-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.67
Rot. Bonds2

About [3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol

[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 79600258) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is [3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol
PubChem CID79600258
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCc1ccnc(-c2n[nH]c(CO)n2)c1
InChIInChI=1S/C9H10N4O/c1-6-2-3-10-7(4-6)9-11-8(5-14)12-13-9/h2-4,14H,5H2,1H3,(H,11,12,13)
InChIKeyOIRSIFYRWRHPLP-UHFFFAOYSA-N
XLogP0.67
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol (CID 79600258) is [3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol is Cc1ccnc(-c2n[nH]c(CO)n2)c1.
What is the InChIKey of [3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is OIRSIFYRWRHPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6-2-3-10-7(4-6)9-11-8(5-14)12-13-9/h2-4,14H,5H2,1H3,(H,11,12,13).
What are the key properties of [3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol?
[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 190.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 79600258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).