3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide

C21H20N6O — CID 118141247

IUPAC3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide
SMILESCc1nnc(-c2c(C)[nH]c3cccc(C(N)=O)c23)nc1NCc1ccccc1
InChIInChI=1S/C21H20N6O/c1-12-17(18-15(19(22)28)9-6-10-16(18)24-12)21-25-20(13(2)26-27-21)23-11-14-7-4-3-5-8-14/h3-10,24H,11H2,1-2H3,(H2,22,28)(H,23,25,27)
InChIKeyPZOVDYSPTJSLAD-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.35
Rot. Bonds5

About 3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide

3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide (PubChem CID 118141247) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide.

Molecular Properties

Compound Name3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide
PubChem CID118141247
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide
SMILESCc1nnc(-c2c(C)[nH]c3cccc(C(N)=O)c23)nc1NCc1ccccc1
InChIInChI=1S/C21H20N6O/c1-12-17(18-15(19(22)28)9-6-10-16(18)24-12)21-25-20(13(2)26-27-21)23-11-14-7-4-3-5-8-14/h3-10,24H,11H2,1-2H3,(H2,22,28)(H,23,25,27)
InChIKeyPZOVDYSPTJSLAD-UHFFFAOYSA-N
XLogP3.35
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-amino-4-(benzylamino)pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141405
3-[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141379
3-[4-(benzylamino)-5-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141353
3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141412
3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141369
3-[5-amino-4-(benzylamino)pyrimidin-2-yl]-2-methylsulfonyl-1H-indole-4-carboxamide
CID 118141339
3-[4-(benzylamino)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-yl]-2-methyl-1H-indole-7-carboxamide
CID 118239647
3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-7-carboxamide
CID 118239478
[6-(benzylamino)-2-(7-carbamoyl-2-methyl-1H-indol-3-yl)pyrimidin-4-yl]boronic acid
CID 145205492
2-benzyl-1H-benzimidazole-4-carboxamide
CID 154521483
[3-[[[3-(8-carbamoyl-2-methylindolizin-3-yl)-6-methyl-1,2,4-triazin-5-yl]amino]methyl]phenyl]boronic acid
CID 140755592
3-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-2-methyl-1-benzothiophene-7-carboxamide
CID 118239690

Frequently Asked Questions

What is the IUPAC name of 3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide?
The IUPAC name of 3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide (CID 118141247) is 3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide.
What is the SMILES notation for 3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide?
The canonical SMILES for 3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide is Cc1nnc(-c2c(C)[nH]c3cccc(C(N)=O)c23)nc1NCc1ccccc1.
What is the InChIKey of 3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide?
The InChIKey is PZOVDYSPTJSLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-12-17(18-15(19(22)28)9-6-10-16(18)24-12)21-25-20(13(2)26-27-21)23-11-14-7-4-3-5-8-14/h3-10,24H,11H2,1-2H3,(H2,22,28)(H,23,25,27).
What are the key properties of 3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide?
3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide is sourced from PubChem (CID 118141247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).