3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide

C15H19N7O2 — CID 118097526

IUPAC3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide
SMILESCC[C@@H](Nc1nnc(C(N)=O)c(Nc2cccc(C)c2)n1)C(N)=O
InChIInChI=1S/C15H19N7O2/c1-3-10(12(16)23)19-15-20-14(11(13(17)24)21-22-15)18-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3,(H2,16,23)(H2,17,24)(H2,18,19,20,22)/t10-/m1/s1
InChIKeyCXWMNWIBPALLTH-SNVBAGLBSA-N
MW329.36 g/mol
LogP0.70
Rot. Bonds7

About 3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide

3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide (PubChem CID 118097526) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide
PubChem CID118097526
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide
SMILESCC[C@@H](Nc1nnc(C(N)=O)c(Nc2cccc(C)c2)n1)C(N)=O
InChIInChI=1S/C15H19N7O2/c1-3-10(12(16)23)19-15-20-14(11(13(17)24)21-22-15)18-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3,(H2,16,23)(H2,17,24)(H2,18,19,20,22)/t10-/m1/s1
InChIKeyCXWMNWIBPALLTH-SNVBAGLBSA-N
XLogP0.70
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide with MolForge

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Related Compounds

3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-[3,4-bis(trifluoromethyl)anilino]-1,2,4-triazine-6-carboxamide
CID 72704662
3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(1,3-benzothiazol-5-ylamino)-1,2,4-triazine-6-carboxamide
CID 140627277
3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-chloro-4-methoxyanilino)-1,2,4-triazine-6-carboxamide
CID 118097618
3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-[(3-cyano-1-methyl-3H-indol-1-ium-6-yl)amino]-1,2,4-triazine-6-carboxamide
CID 123323850
3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide
CID 72704858
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide
CID 72551286
3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(1H-indol-6-ylamino)-1,2,4-triazine-6-carboxamide
CID 118097876
3-[[(2R)-1-amino-4,4-difluoro-1-oxobutan-2-yl]amino]-5-[(1-methylindazol-6-yl)amino]-1,2,4-triazine-6-carboxamide
CID 118097631
3-[[(2R)-1-amino-4,4-difluoro-1-oxobutan-2-yl]amino]-5-(quinolin-6-ylamino)-1,2,4-triazine-6-carboxamide
CID 118097603
3-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-(quinolin-6-ylamino)-1,2,4-triazine-6-carboxamide
CID 72705614
3-hydroxy-2-(3-methylanilino)propanamide
CID 104711172
6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride
CID 22665526

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide (CID 118097526) is 3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide is CC[C@@H](Nc1nnc(C(N)=O)c(Nc2cccc(C)c2)n1)C(N)=O.
What is the InChIKey of 3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide?
The InChIKey is CXWMNWIBPALLTH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N7O2/c1-3-10(12(16)23)19-15-20-14(11(13(17)24)21-22-15)18-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3,(H2,16,23)(H2,17,24)(H2,18,19,20,22)/t10-/m1/s1.
What are the key properties of 3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide?
3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.70, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 118097526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).