5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine

C13H17N5 — CID 112938979

IUPAC5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(Nc2cnnc(NC(C)C)n2)c1
InChIInChI=1S/C13H17N5/c1-9(2)15-13-17-12(8-14-18-13)16-11-6-4-5-10(3)7-11/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeySTQDXEVFCZHPRA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.74
Rot. Bonds4

About 5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine

5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112938979) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
PubChem CID112938979
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(Nc2cnnc(NC(C)C)n2)c1
InChIInChI=1S/C13H17N5/c1-9(2)15-13-17-12(8-14-18-13)16-11-6-4-5-10(3)7-11/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeySTQDXEVFCZHPRA-UHFFFAOYSA-N
XLogP2.74
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3-methylphenyl)-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940546
3-[[3-(propan-2-ylamino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112939078
5-N-(3-methylphenyl)-3-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112961990
5-N-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112939083
5-N-(4-tert-butylphenyl)-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962070
3-N-(2,6-diethylphenyl)-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961964
5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112939002
3-N-[2-(dimethylamino)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112944967
3-N-(2-methoxyethyl)-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112943558
4-[[5-(3-methylanilino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112962044
5-N-(3-methylphenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952987
5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112939056

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine (CID 112938979) is 5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine is Cc1cccc(Nc2cnnc(NC(C)C)n2)c1.
What is the InChIKey of 5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is STQDXEVFCZHPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9(2)15-13-17-12(8-14-18-13)16-11-6-4-5-10(3)7-11/h4-9H,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).