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

C14H16N6O — CID 106598677

IUPAC4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine
SMILESCCCNc1nc(Oc2ncn(C)n2)c2ccccc2n1
InChIInChI=1S/C14H16N6O/c1-3-8-15-13-17-11-7-5-4-6-10(11)12(18-13)21-14-16-9-20(2)19-14/h4-7,9H,3,8H2,1-2H3,(H,15,17,18)
InChIKeyNANRJDDICBFPMU-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.37
Rot. Bonds5

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

4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine (PubChem CID 106598677) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine.

Molecular Properties

Compound Name4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine
PubChem CID106598677
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine
SMILESCCCNc1nc(Oc2ncn(C)n2)c2ccccc2n1
InChIInChI=1S/C14H16N6O/c1-3-8-15-13-17-11-7-5-4-6-10(11)12(18-13)21-14-16-9-20(2)19-14/h4-7,9H,3,8H2,1-2H3,(H,15,17,18)
InChIKeyNANRJDDICBFPMU-UHFFFAOYSA-N
XLogP2.37
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-methoxypropoxy)-N-propylquinazolin-2-amine
CID 80866995
4-(2-methylpentoxy)-N-propylquinazolin-2-amine
CID 103286409
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine
CID 106598821
N-ethyl-4-propoxyquinazolin-2-amine
CID 80867291
N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine
CID 106597869
N-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine
CID 106598036
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400
4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine
CID 80753533
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylquinazolin-2-amine
CID 80869207
N-ethyl-4-(4-iodophenoxy)quinazolin-2-amine
CID 80875106
4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine
CID 80840723
2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
CID 80778175

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine?
The IUPAC name of 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine (CID 106598677) is 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine.
What is the SMILES notation for 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine?
The canonical SMILES for 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine is CCCNc1nc(Oc2ncn(C)n2)c2ccccc2n1.
What is the InChIKey of 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine?
The InChIKey is NANRJDDICBFPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-3-8-15-13-17-11-7-5-4-6-10(11)12(18-13)21-14-16-9-20(2)19-14/h4-7,9H,3,8H2,1-2H3,(H,15,17,18).
What are the key properties of 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine?
4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine has a molecular weight of 284.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylquinazolin-2-amine is sourced from PubChem (CID 106598677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).