6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

C12H15N7O — CID 171524657

IUPAC6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2ncc(C3CNC3)nc2C(N)=O)cn1
InChIInChI=1S/C12H15N7O/c1-19-6-8(4-16-19)17-12-10(11(13)20)18-9(5-15-12)7-2-14-3-7/h4-7,14H,2-3H2,1H3,(H2,13,20)(H,15,17)
InChIKeyVXOYSMSFTXJMST-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.26
Rot. Bonds4

About 6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 171524657) has the molecular formula C12H15N7O and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
PubChem CID171524657
Molecular FormulaC12H15N7O
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2ncc(C3CNC3)nc2C(N)=O)cn1
InChIInChI=1S/C12H15N7O/c1-19-6-8(4-16-19)17-12-10(11(13)20)18-9(5-15-12)7-2-14-3-7/h4-7,14H,2-3H2,1H3,(H2,13,20)(H,15,17)
InChIKeyVXOYSMSFTXJMST-UHFFFAOYSA-N
XLogP-0.26
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-[1-(6-cyclohexyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 171524683
6-[1-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 171524795
6-[1-[6-(3-hydroxy-2,2-dimethylpropoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 171524747
6-[1-[6-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 171524711
6-[3-[2-[6-(2-cyclohexyl-2-oxoethyl)-1,3-benzoxazol-2-yl]ethyl]cyclobutyl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 171524793
3-[(1-tert-butylpyrazol-4-yl)amino]-6-[1-(6-hydroxy-1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazine-2-carboxamide
CID 171524633
6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[[1-[2-(dimethylamino)-2-hydroxyethyl]pyrazol-4-yl]amino]pyrazine-2-carboxamide
CID 176914235
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-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 145201112
(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
5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid
CID 167950874
N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride
CID 91811702

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 171524657) is 6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is Cn1cc(Nc2ncc(C3CNC3)nc2C(N)=O)cn1.
What is the InChIKey of 6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The InChIKey is VXOYSMSFTXJMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O/c1-19-6-8(4-16-19)17-12-10(11(13)20)18-9(5-15-12)7-2-14-3-7/h4-7,14H,2-3H2,1H3,(H2,13,20)(H,15,17).
What are the key properties of 6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 273.30 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 171524657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).