1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine

C10H20N4O — CID 115891137

IUPAC1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1nncn1C(C)C
InChIInChI=1S/C10H20N4O/c1-8(2)14-7-12-13-10(14)5-11-9(3)6-15-4/h7-9,11H,5-6H2,1-4H3
InChIKeyLBEFRJWLDRMJDD-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.98
Rot. Bonds6

About 1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine

1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine (PubChem CID 115891137) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
PubChem CID115891137
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1nncn1C(C)C
InChIInChI=1S/C10H20N4O/c1-8(2)14-7-12-13-10(14)5-11-9(3)6-15-4/h7-9,11H,5-6H2,1-4H3
InChIKeyLBEFRJWLDRMJDD-UHFFFAOYSA-N
XLogP0.98
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine (CID 115891137) is 1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine is COCC(C)NCc1nncn1C(C)C.
What is the InChIKey of 1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The InChIKey is LBEFRJWLDRMJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-8(2)14-7-12-13-10(14)5-11-9(3)6-15-4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine has a molecular weight of 212.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 115891137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).