1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine

C10H18N4O — CID 62478267

IUPAC1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nnc(C)n1C1CC1
InChIInChI=1S/C10H18N4O/c1-7-12-13-10(9(11)5-6-15-2)14(7)8-3-4-8/h8-9H,3-6,11H2,1-2H3
InChIKeyPDYLFBYRDYUPJQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.96
Rot. Bonds5

About 1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine

1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine (PubChem CID 62478267) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
PubChem CID62478267
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nnc(C)n1C1CC1
InChIInChI=1S/C10H18N4O/c1-7-12-13-10(9(11)5-6-15-2)14(7)8-3-4-8/h8-9H,3-6,11H2,1-2H3
InChIKeyPDYLFBYRDYUPJQ-UHFFFAOYSA-N
XLogP0.96
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
The IUPAC name of 1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine (CID 62478267) is 1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
The canonical SMILES for 1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine is COCCC(N)c1nnc(C)n1C1CC1.
What is the InChIKey of 1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
The InChIKey is PDYLFBYRDYUPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-12-13-10(9(11)5-6-15-2)14(7)8-3-4-8/h8-9H,3-6,11H2,1-2H3.
What are the key properties of 1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine is sourced from PubChem (CID 62478267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).