3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide

C21H24N8O — CID 89484627

IUPAC3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide
SMILESNC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccnc(-c2ccccc2)c1
InChIInChI=1S/C21H24N8O/c22-15-8-4-5-9-16(15)26-21-27-20(18(19(23)30)28-29-21)25-14-10-11-24-17(12-14)13-6-2-1-3-7-13/h1-3,6-7,10-12,15-16H,4-5,8-9,22H2,(H2,23,30)(H2,24,25,26,27,29)/t15-,16+/m0/s1
InChIKeyLPXXTCADJFGQOB-JKSUJKDBSA-N
MW404.48 g/mol
LogP2.46
Rot. Bonds6

About 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide

3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide (PubChem CID 89484627) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide
PubChem CID89484627
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide
SMILESNC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccnc(-c2ccccc2)c1
InChIInChI=1S/C21H24N8O/c22-15-8-4-5-9-16(15)26-21-27-20(18(19(23)30)28-29-21)25-14-10-11-24-17(12-14)13-6-2-1-3-7-13/h1-3,6-7,10-12,15-16H,4-5,8-9,22H2,(H2,23,30)(H2,24,25,26,27,29)/t15-,16+/m0/s1
InChIKeyLPXXTCADJFGQOB-JKSUJKDBSA-N
XLogP2.46
TPSA144.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide
CID 72551286
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(3,5-difluoroanilino)-1,2,4-triazine-6-carboxamide
CID 72705433
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(4-fluoroanilino)-1,2,4-triazine-6-carboxamide
CID 118097531
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(3-amino-4-methylanilino)-1,2,4-triazine-6-carboxamide
CID 123215220
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(4-cyanoanilino)-1,2,4-triazine-6-carboxamide
CID 118097881
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(4-cyano-3-fluoroanilino)-1,2,4-triazine-6-carboxamide
CID 118097882
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(1H-indazol-5-ylamino)-1,2,4-triazine-6-carboxamide;formic acid
CID 161417573
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 72705057
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(3-methyl-1,2-thiazol-5-yl)amino]-1,2,4-triazine-6-carboxamide
CID 72705802
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(1,7-dimethylindazol-5-yl)amino]-1,2,4-triazine-6-carboxamide
CID 89484521
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 72705994
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(pyrazolo[1,5-a]pyridin-3-ylamino)-1,2,4-triazine-6-carboxamide
CID 118097546

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide (CID 89484627) is 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide is NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccnc(-c2ccccc2)c1.
What is the InChIKey of 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide?
The InChIKey is LPXXTCADJFGQOB-JKSUJKDBSA-N. The full InChI is InChI=1S/C21H24N8O/c22-15-8-4-5-9-16(15)26-21-27-20(18(19(23)30)28-29-21)25-14-10-11-24-17(12-14)13-6-2-1-3-7-13/h1-3,6-7,10-12,15-16H,4-5,8-9,22H2,(H2,23,30)(H2,24,25,26,27,29)/t15-,16+/m0/s1.
What are the key properties of 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide?
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide has a molecular weight of 404.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-phenyl-4-pyridinyl)amino]-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 89484627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).