(1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol

C8H11N5O — CID 65363456

IUPAC(1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCCn1ccnc1C(O)c1ncn[nH]1
InChIInChI=1S/C8H11N5O/c1-2-13-4-3-9-8(13)6(14)7-10-5-11-12-7/h3-6,14H,2H2,1H3,(H,10,11,12)
InChIKeyBMQFDLCMICQKTL-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.10
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol

(1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol (PubChem CID 65363456) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
PubChem CID65363456
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name(1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCCn1ccnc1C(O)c1ncn[nH]1
InChIInChI=1S/C8H11N5O/c1-2-13-4-3-9-8(13)6(14)7-10-5-11-12-7/h3-6,14H,2H2,1H3,(H,10,11,12)
InChIKeyBMQFDLCMICQKTL-UHFFFAOYSA-N
XLogP0.10
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of (1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol (CID 65363456) is (1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for (1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol is CCn1ccnc1C(O)c1ncn[nH]1.
What is the InChIKey of (1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is BMQFDLCMICQKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-2-13-4-3-9-8(13)6(14)7-10-5-11-12-7/h3-6,14H,2H2,1H3,(H,10,11,12).
What are the key properties of (1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol?
(1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 193.21 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 65363456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).