3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole

C8H17N3O — CID 142397408

IUPAC3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole
SMILESCCN1C=C(COC(C)C)NN1
InChIInChI=1S/C8H17N3O/c1-4-11-5-8(9-10-11)6-12-7(2)3/h5,7,9-10H,4,6H2,1-3H3
InChIKeyVRVHESONHHTCQA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.60
Rot. Bonds4

About 3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole

3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole (PubChem CID 142397408) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole.

Molecular Properties

Compound Name3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole
PubChem CID142397408
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole
SMILESCCN1C=C(COC(C)C)NN1
InChIInChI=1S/C8H17N3O/c1-4-11-5-8(9-10-11)6-12-7(2)3/h5,7,9-10H,4,6H2,1-3H3
InChIKeyVRVHESONHHTCQA-UHFFFAOYSA-N
XLogP0.60
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Ethyl-5-(methoxymethyl)-1,2-dihydrotriazole
CID 121390390
5-(methoxymethyl)-2,3-dimethyl-1H-triazole
CID 132149969
3-Methyl-4-(propan-2-yloxymethyl)-1,2-dihydrotriazole
CID 141698824
(Z)-1-hydrazinyl-3-propan-2-yloxyprop-1-en-2-amine
CID 156869223
(Z)-2-hydrazinyl-3-[2-(2-methoxyethoxy)ethoxy]-N-methylprop-1-en-1-amine
CID 164602472
(Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane
CID 167461864
(Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine
CID 167461865
ethane;(Z)-1-hydrazinyl-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine
CID 169146501
(Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine
CID 170272509
4-(Methoxymethyl)-3-methyl-1,2-dihydrotriazole
CID 174268153
(Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine
CID 178050350
(Z)-2-hydrazinyl-3-[2-(methylamino)ethoxy]prop-1-en-1-amine
CID 176952500

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole?
The IUPAC name of 3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole (CID 142397408) is 3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole.
What is the SMILES notation for 3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole?
The canonical SMILES for 3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole is CCN1C=C(COC(C)C)NN1.
What is the InChIKey of 3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole?
The InChIKey is VRVHESONHHTCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-4-11-5-8(9-10-11)6-12-7(2)3/h5,7,9-10H,4,6H2,1-3H3.
What are the key properties of 3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole?
3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole has a molecular weight of 171.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole is sourced from PubChem (CID 142397408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).