(1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol

C10H16N6O2 — CID 174734332

IUPAC(1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol
SMILESCCn1cc(COC(O)c2cn(CC)nn2)nn1
InChIInChI=1S/C10H16N6O2/c1-3-15-5-8(11-13-15)7-18-10(17)9-6-16(4-2)14-12-9/h5-6,10,17H,3-4,7H2,1-2H3
InChIKeyNBGWYMOKESJPRP-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.12
Rot. Bonds6

About (1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol

(1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol (PubChem CID 174734332) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is (1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol.

Molecular Properties

Compound Name(1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol
PubChem CID174734332
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name(1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol
SMILESCCn1cc(COC(O)c2cn(CC)nn2)nn1
InChIInChI=1S/C10H16N6O2/c1-3-15-5-8(11-13-15)7-18-10(17)9-6-16(4-2)14-12-9/h5-6,10,17H,3-4,7H2,1-2H3
InChIKeyNBGWYMOKESJPRP-UHFFFAOYSA-N
XLogP0.12
TPSA90.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol?
The IUPAC name of (1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol (CID 174734332) is (1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol.
What is the SMILES notation for (1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol?
The canonical SMILES for (1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol is CCn1cc(COC(O)c2cn(CC)nn2)nn1.
What is the InChIKey of (1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol?
The InChIKey is NBGWYMOKESJPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-3-15-5-8(11-13-15)7-18-10(17)9-6-16(4-2)14-12-9/h5-6,10,17H,3-4,7H2,1-2H3.
What are the key properties of (1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol?
(1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol has a molecular weight of 252.28 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyltriazol-4-yl)-[(1-ethyltriazol-4-yl)methoxy]methanol is sourced from PubChem (CID 174734332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).