(2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

C10H12N4O2 — CID 105128734

IUPAC(2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1ncccc1C(O)c1cnnn1C
InChIInChI=1S/C10H12N4O2/c1-14-8(6-12-13-14)9(15)7-4-3-5-11-10(7)16-2/h3-6,9,15H,1-2H3
InChIKeyCRGYMXRLKFDAPR-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.30
Rot. Bonds3

About (2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

(2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 105128734) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
PubChem CID105128734
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name(2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1ncccc1C(O)c1cnnn1C
InChIInChI=1S/C10H12N4O2/c1-14-8(6-12-13-14)9(15)7-4-3-5-11-10(7)16-2/h3-6,9,15H,1-2H3
InChIKeyCRGYMXRLKFDAPR-UHFFFAOYSA-N
XLogP0.30
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (CID 105128734) is (2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is COc1ncccc1C(O)c1cnnn1C.
What is the InChIKey of (2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is CRGYMXRLKFDAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-14-8(6-12-13-14)9(15)7-4-3-5-11-10(7)16-2/h3-6,9,15H,1-2H3.
What are the key properties of (2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?
(2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 220.23 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 105128734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).