2-(4-amino-1-methylpyrazol-5-yl)acetonitrile

C6H8N4 — CID 131501048

IUPAC2-(4-amino-1-methylpyrazol-5-yl)acetonitrile
SMILESCn1ncc(N)c1CC#N
InChIInChI=1S/C6H8N4/c1-10-6(2-3-7)5(8)4-9-10/h4H,2,8H2,1H3
InChIKeyNLGWMNCBXKTFGT-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.07
Rot. Bonds1

About 2-(4-amino-1-methylpyrazol-5-yl)acetonitrile

2-(4-amino-1-methylpyrazol-5-yl)acetonitrile (PubChem CID 131501048) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 2-(4-amino-1-methylpyrazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-amino-1-methylpyrazol-5-yl)acetonitrile
PubChem CID131501048
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name2-(4-amino-1-methylpyrazol-5-yl)acetonitrile
SMILESCn1ncc(N)c1CC#N
InChIInChI=1S/C6H8N4/c1-10-6(2-3-7)5(8)4-9-10/h4H,2,8H2,1H3
InChIKeyNLGWMNCBXKTFGT-UHFFFAOYSA-N
XLogP0.07
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-methylpyrazol-5-yl)acetonitrile?
The IUPAC name of 2-(4-amino-1-methylpyrazol-5-yl)acetonitrile (CID 131501048) is 2-(4-amino-1-methylpyrazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(4-amino-1-methylpyrazol-5-yl)acetonitrile?
The canonical SMILES for 2-(4-amino-1-methylpyrazol-5-yl)acetonitrile is Cn1ncc(N)c1CC#N.
What is the InChIKey of 2-(4-amino-1-methylpyrazol-5-yl)acetonitrile?
The InChIKey is NLGWMNCBXKTFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-10-6(2-3-7)5(8)4-9-10/h4H,2,8H2,1H3.
What are the key properties of 2-(4-amino-1-methylpyrazol-5-yl)acetonitrile?
2-(4-amino-1-methylpyrazol-5-yl)acetonitrile has a molecular weight of 136.16 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-methylpyrazol-5-yl)acetonitrile is sourced from PubChem (CID 131501048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).