4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide

C14H12N6O — CID 114389478

IUPAC4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide
SMILESCNc1cc(C(=O)Nc2nccnn2)nc2ccccc12
InChIInChI=1S/C14H12N6O/c1-15-11-8-12(18-10-5-3-2-4-9(10)11)13(21)19-14-16-6-7-17-20-14/h2-8H,1H3,(H,15,18)(H,16,19,20,21)
InChIKeyIROVACASRCXALE-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.71
Rot. Bonds3

About 4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide

4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide (PubChem CID 114389478) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide
PubChem CID114389478
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide
SMILESCNc1cc(C(=O)Nc2nccnn2)nc2ccccc12
InChIInChI=1S/C14H12N6O/c1-15-11-8-12(18-10-5-3-2-4-9(10)11)13(21)19-14-16-6-7-17-20-14/h2-8H,1H3,(H,15,18)(H,16,19,20,21)
InChIKeyIROVACASRCXALE-UHFFFAOYSA-N
XLogP1.71
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389471
4-(methylamino)-N-(2-methylpyrazol-3-yl)quinoline-2-carboxamide
CID 63375551
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(methylamino)quinoline-2-carboxamide
CID 63375460
6-(methylamino)-N-(1,2,4-triazin-3-yl)pyridazine-3-carboxamide
CID 114389495
N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide
CID 63375251
4-hydrazinyl-N-pyrazin-2-ylquinoline-2-carboxamide
CID 63375558
N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide
CID 82940781
4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide
CID 114540556
4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide
CID 63375555
4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389539
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone
CID 103358198
6-hydrazinyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide
CID 114389593

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide?
The IUPAC name of 4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide (CID 114389478) is 4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide is CNc1cc(C(=O)Nc2nccnn2)nc2ccccc12.
What is the InChIKey of 4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide?
The InChIKey is IROVACASRCXALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c1-15-11-8-12(18-10-5-3-2-4-9(10)11)13(21)19-14-16-6-7-17-20-14/h2-8H,1H3,(H,15,18)(H,16,19,20,21).
What are the key properties of 4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide?
4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide is sourced from PubChem (CID 114389478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).