N-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine

C13H13N5 — CID 116823912

IUPACN-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine
SMILESCNc1cnnc(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C13H13N5/c1-14-12-7-15-17-13(16-12)10-8-18(2)11-6-4-3-5-9(10)11/h3-8H,1-2H3,(H,14,16,17)
InChIKeyRRHJJCBDTGIVHR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.07
Rot. Bonds2

About N-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine

N-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine (PubChem CID 116823912) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine
PubChem CID116823912
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine
SMILESCNc1cnnc(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C13H13N5/c1-14-12-7-15-17-13(16-12)10-8-18(2)11-6-4-3-5-9(10)11/h3-8H,1-2H3,(H,14,16,17)
InChIKeyRRHJJCBDTGIVHR-UHFFFAOYSA-N
XLogP2.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole
CID 147456489
1-methyl-3-(4-methylpyrimidin-2-yl)indole
CID 134862486
4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine
CID 15211774
2-(1-methylindol-3-yl)aniline
CID 138983733
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile
CID 116865128
3-(1-methylindol-3-yl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 18987424
1-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole
CID 167905010
3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole
CID 166917687
2-(1-methylindol-3-yl)phenol
CID 154709769
1-methyl-3-(4-methylphenyl)indole
CID 58931542
3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole
CID 116897369

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine (CID 116823912) is N-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine is CNc1cnnc(-c2cn(C)c3ccccc23)n1.
What is the InChIKey of N-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine?
The InChIKey is RRHJJCBDTGIVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-14-12-7-15-17-13(16-12)10-8-18(2)11-6-4-3-5-9(10)11/h3-8H,1-2H3,(H,14,16,17).
What are the key properties of N-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine?
N-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine has a molecular weight of 239.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).