3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide

C16H19Cl2N7O2 — CID 72704858

IUPAC3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide
SMILESCC(C)C[C@@H](Nc1nnc(C(N)=O)c(Nc2ccc(Cl)c(Cl)c2)n1)C(N)=O
InChIInChI=1S/C16H19Cl2N7O2/c1-7(2)5-11(13(19)26)22-16-23-15(12(14(20)27)24-25-16)21-8-3-4-9(17)10(18)6-8/h3-4,6-7,11H,5H2,1-2H3,(H2,19,26)(H2,20,27)(H2,21,22,23,25)/t11-/m1/s1
InChIKeyVVIJUSGETJNNLU-LLVKDONJSA-N
MW412.28 g/mol
LogP2.33
Rot. Bonds8

About 3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide

3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide (PubChem CID 72704858) has the molecular formula C16H19Cl2N7O2 and a molecular weight of 412.28 g/mol. Its IUPAC name is 3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide
PubChem CID72704858
Molecular FormulaC16H19Cl2N7O2
Molecular Weight412.28 g/mol
Exact Mass411.10
IUPAC Name3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide
SMILESCC(C)C[C@@H](Nc1nnc(C(N)=O)c(Nc2ccc(Cl)c(Cl)c2)n1)C(N)=O
InChIInChI=1S/C16H19Cl2N7O2/c1-7(2)5-11(13(19)26)22-16-23-15(12(14(20)27)24-25-16)21-8-3-4-9(17)10(18)6-8/h3-4,6-7,11H,5H2,1-2H3,(H2,19,26)(H2,20,27)(H2,21,22,23,25)/t11-/m1/s1
InChIKeyVVIJUSGETJNNLU-LLVKDONJSA-N
XLogP2.33
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-1-oxobutan-2-yl]amino]-5-(3-chloro-4-methoxyanilino)-1,2,4-triazine-6-carboxamide
CID 118097618
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-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide
CID 118097526
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-4,4-difluoro-1-oxobutan-2-yl]amino]-5-(quinolin-6-ylamino)-1,2,4-triazine-6-carboxamide
CID 118097603
3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(1,3-benzothiazol-5-ylamino)-1,2,4-triazine-6-carboxamide
CID 140627277
3-[[(2S,3R)-2-amino-5-methylhexan-3-yl]amino]-5-[(2-ethylindazol-6-yl)amino]-1,2,4-triazine-6-carboxamide
CID 89484438
2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-(1,3-benzothiazol-6-ylamino)pyrimidine-5-carboxamide
CID 67003038
2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3H-indol-5-ylamino)pyrimidine-5-carboxamide
CID 161460931
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-3-methyl-1-oxobutan-2-yl]amino]-5-(quinolin-6-ylamino)-1,2,4-triazine-6-carboxamide
CID 72705614

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide (CID 72704858) is 3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide is CC(C)C[C@@H](Nc1nnc(C(N)=O)c(Nc2ccc(Cl)c(Cl)c2)n1)C(N)=O.
What is the InChIKey of 3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide?
The InChIKey is VVIJUSGETJNNLU-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19Cl2N7O2/c1-7(2)5-11(13(19)26)22-16-23-15(12(14(20)27)24-25-16)21-8-3-4-9(17)10(18)6-8/h3-4,6-7,11H,5H2,1-2H3,(H2,19,26)(H2,20,27)(H2,21,22,23,25)/t11-/m1/s1.
What are the key properties of 3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide?
3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide has a molecular weight of 412.28 g/mol, XLogP of 2.33, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 72704858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).