2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile

C6H8N4 — CID 84817577

IUPAC2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1cnc[nH]1
InChIInChI=1S/C6H8N4/c1-8-5(2-7)6-3-9-4-10-6/h3-5,8H,1H3,(H,9,10)
InChIKeyJVRLSMBTNJXGKB-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.19
Rot. Bonds2

About 2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile

2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile (PubChem CID 84817577) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile
PubChem CID84817577
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1cnc[nH]1
InChIInChI=1S/C6H8N4/c1-8-5(2-7)6-3-9-4-10-6/h3-5,8H,1H3,(H,9,10)
InChIKeyJVRLSMBTNJXGKB-UHFFFAOYSA-N
XLogP0.19
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile?
The IUPAC name of 2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile (CID 84817577) is 2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile?
The canonical SMILES for 2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile is CNC(C#N)c1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile?
The InChIKey is JVRLSMBTNJXGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-8-5(2-7)6-3-9-4-10-6/h3-5,8H,1H3,(H,9,10).
What are the key properties of 2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile?
2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile has a molecular weight of 136.16 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile is sourced from PubChem (CID 84817577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).