5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen

C5H8N4 — CID 144700240

IUPAC5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen
SMILESCn1ncc(C#N)c1N.[H][H]
InChIInChI=1S/C5H6N4.H2/c1-9-5(7)4(2-6)3-8-9;/h3H,7H2,1H3;1H
InChIKeySOYGXAOJPKPZEA-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.12
Rot. Bonds

About 5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen

5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen (PubChem CID 144700240) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen.

Molecular Properties

Compound Name5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen
PubChem CID144700240
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen
SMILESCn1ncc(C#N)c1N.[H][H]
InChIInChI=1S/C5H6N4.H2/c1-9-5(7)4(2-6)3-8-9;/h3H,7H2,1H3;1H
InChIKeySOYGXAOJPKPZEA-UHFFFAOYSA-N
XLogP0.12
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen?
The IUPAC name of 5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen (CID 144700240) is 5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen.
What is the SMILES notation for 5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen?
The canonical SMILES for 5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen is Cn1ncc(C#N)c1N.[H][H].
What is the InChIKey of 5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen?
The InChIKey is SOYGXAOJPKPZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4.H2/c1-9-5(7)4(2-6)3-8-9;/h3H,7H2,1H3;1H.
What are the key properties of 5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen?
5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen has a molecular weight of 124.15 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methylpyrazole-4-carbonitrile;molecular hydrogen is sourced from PubChem (CID 144700240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).