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

C13H19N9O — CID 145201112

IUPAC3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
SMILESCn1cc(Nc2nc(N3CCC[C@@H](N)C3)nnc2C(N)=O)cn1
InChIInChI=1S/C13H19N9O/c1-21-7-9(5-16-21)17-12-10(11(15)23)19-20-13(18-12)22-4-2-3-8(14)6-22/h5,7-8H,2-4,6,14H2,1H3,(H2,15,23)(H,17,18,20)/t8-/m1/s1
InChIKeyLCVFFCIXHASUCI-MRVPVSSYSA-N
MW317.36 g/mol
LogP-0.62
Rot. Bonds4

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

3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide (PubChem CID 145201112) has the molecular formula C13H19N9O and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
PubChem CID145201112
Molecular FormulaC13H19N9O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
SMILESCn1cc(Nc2nc(N3CCC[C@@H](N)C3)nnc2C(N)=O)cn1
InChIInChI=1S/C13H19N9O/c1-21-7-9(5-16-21)17-12-10(11(15)23)19-20-13(18-12)22-4-2-3-8(14)6-22/h5,7-8H,2-4,6,14H2,1H3,(H2,15,23)(H,17,18,20)/t8-/m1/s1
InChIKeyLCVFFCIXHASUCI-MRVPVSSYSA-N
XLogP-0.62
TPSA140.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

3-[3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 135361530
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 72705057
3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 158254577
3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 159456829
3-[3-(4-tert-butylanilino)piperidin-1-yl]-5-(4-methylanilino)-1,2,4-triazine-6-carboxamide
CID 118143159
2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide
CID 150859577
3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;5-[4-(morpholine-4-carbonyl)anilino]-3-[(3R)-3-(pyrimidine-2-carbonylamino)piperidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 159269421
3-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-5-[4-(4-oxopiperidin-1-yl)anilino]-1,2,4-triazine-6-carboxamide
CID 166452745
3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide
CID 158305792
(3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide
CID 135362019
3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 164762653
2-[(3S)-3-aminopiperidin-1-yl]-4-[3-(methylsulfamoyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 160692564

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide (CID 145201112) is 3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide is Cn1cc(Nc2nc(N3CCC[C@@H](N)C3)nnc2C(N)=O)cn1.
What is the InChIKey of 3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide?
The InChIKey is LCVFFCIXHASUCI-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H19N9O/c1-21-7-9(5-16-21)17-12-10(11(15)23)19-20-13(18-12)22-4-2-3-8(14)6-22/h5,7-8H,2-4,6,14H2,1H3,(H2,15,23)(H,17,18,20)/t8-/m1/s1.
What are the key properties of 3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide?
3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide has a molecular weight of 317.36 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 145201112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).