3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole

C10H19N3O — CID 58204416

IUPAC3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole
SMILESCOCc1nc(C(C)C)n(C(C)C)n1
InChIInChI=1S/C10H19N3O/c1-7(2)10-11-9(6-14-5)12-13(10)8(3)4/h7-8H,6H2,1-5H3
InChIKeyPTYQFBKYXUQPRV-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.13
Rot. Bonds4

About 3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole

3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole (PubChem CID 58204416) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole
PubChem CID58204416
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole
SMILESCOCc1nc(C(C)C)n(C(C)C)n1
InChIInChI=1S/C10H19N3O/c1-7(2)10-11-9(6-14-5)12-13(10)8(3)4/h7-8H,6H2,1-5H3
InChIKeyPTYQFBKYXUQPRV-UHFFFAOYSA-N
XLogP2.13
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole?
The IUPAC name of 3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole (CID 58204416) is 3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole?
The canonical SMILES for 3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole is COCc1nc(C(C)C)n(C(C)C)n1.
What is the InChIKey of 3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole?
The InChIKey is PTYQFBKYXUQPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)10-11-9(6-14-5)12-13(10)8(3)4/h7-8H,6H2,1-5H3.
What are the key properties of 3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole?
3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole has a molecular weight of 197.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 58204416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).