3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile

C13H17N7O — CID 71922431

IUPAC3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile
SMILESCOc1cncc(N(C)CCCc2[nH]nc(N)c2C#N)n1
InChIInChI=1S/C13H17N7O/c1-20(11-7-16-8-12(17-11)21-2)5-3-4-10-9(6-14)13(15)19-18-10/h7-8H,3-5H2,1-2H3,(H3,15,18,19)
InChIKeyOXKQUDCUJBBLQR-UHFFFAOYSA-N
MW287.33 g/mol
LogP0.73
Rot. Bonds6

About 3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile

3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile (PubChem CID 71922431) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile
PubChem CID71922431
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile
SMILESCOc1cncc(N(C)CCCc2[nH]nc(N)c2C#N)n1
InChIInChI=1S/C13H17N7O/c1-20(11-7-16-8-12(17-11)21-2)5-3-4-10-9(6-14)13(15)19-18-10/h7-8H,3-5H2,1-2H3,(H3,15,18,19)
InChIKeyOXKQUDCUJBBLQR-UHFFFAOYSA-N
XLogP0.73
TPSA116.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile (CID 71922431) is 3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile is COc1cncc(N(C)CCCc2[nH]nc(N)c2C#N)n1.
What is the InChIKey of 3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile?
The InChIKey is OXKQUDCUJBBLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O/c1-20(11-7-16-8-12(17-11)21-2)5-3-4-10-9(6-14)13(15)19-18-10/h7-8H,3-5H2,1-2H3,(H3,15,18,19).
What are the key properties of 3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile?
3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile has a molecular weight of 287.33 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[3-[(6-methoxypyrazin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 71922431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).