3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine

C10H12N6O — CID 112939479

IUPAC3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
SMILESCc1cc(Nc2cnnc(NC3CC3)n2)no1
InChIInChI=1S/C10H12N6O/c1-6-4-8(16-17-6)13-9-5-11-15-10(14-9)12-7-2-3-7/h4-5,7H,2-3H2,1H3,(H2,12,13,14,15,16)
InChIKeyZZUDYHAGPYXHCY-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.49
Rot. Bonds4

About 3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine

3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine (PubChem CID 112939479) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
PubChem CID112939479
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
SMILESCc1cc(Nc2cnnc(NC3CC3)n2)no1
InChIInChI=1S/C10H12N6O/c1-6-4-8(16-17-6)13-9-5-11-15-10(14-9)12-7-2-3-7/h4-5,7H,2-3H2,1H3,(H2,12,13,14,15,16)
InChIKeyZZUDYHAGPYXHCY-UHFFFAOYSA-N
XLogP1.49
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

3-N-(4-methoxyphenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112967457
2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112899999
3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961841
3-N-cycloheptyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959272
3-N-[4-(dimethylamino)phenyl]-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112968881
3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112939384
3-N-(3-bromo-4-methylphenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112967058
5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945415
3-N-cyclopropyl-5-N-(2,5-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112939419
5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941773
3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112941706
5-N-(2-bromophenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112969146

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine (CID 112939479) is 3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine is Cc1cc(Nc2cnnc(NC3CC3)n2)no1.
What is the InChIKey of 3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine?
The InChIKey is ZZUDYHAGPYXHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-6-4-8(16-17-6)13-9-5-11-15-10(14-9)12-7-2-3-7/h4-5,7H,2-3H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine?
3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine has a molecular weight of 232.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112939479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).