6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine

C10H14N6O — CID 106598602

IUPAC6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ncn(C)n2)ncn1
InChIInChI=1S/C10H14N6O/c1-3-4-11-8-5-9(13-6-12-8)17-10-14-7-16(2)15-10/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyBVTIQIHYKGDGDZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.22
Rot. Bonds5

About 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine

6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine (PubChem CID 106598602) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
PubChem CID106598602
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ncn(C)n2)ncn1
InChIInChI=1S/C10H14N6O/c1-3-4-11-8-5-9(13-6-12-8)17-10-14-7-16(2)15-10/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyBVTIQIHYKGDGDZ-UHFFFAOYSA-N
XLogP1.22
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine?
The IUPAC name of 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine (CID 106598602) is 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ncn(C)n2)ncn1.
What is the InChIKey of 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine?
The InChIKey is BVTIQIHYKGDGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-3-4-11-8-5-9(13-6-12-8)17-10-14-7-16(2)15-10/h5-7H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine?
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine has a molecular weight of 234.26 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106598602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).