2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile

C10H11N5 — CID 81132990

IUPAC2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile
SMILESCc1ccc(N)c(N(CC#N)CC#N)n1
InChIInChI=1S/C10H11N5/c1-8-2-3-9(13)10(14-8)15(6-4-11)7-5-12/h2-3H,6-7,13H2,1H3
InChIKeyGHUQQCVRUZYWRK-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.83
Rot. Bonds3

About 2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile

2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile (PubChem CID 81132990) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile
PubChem CID81132990
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile
SMILESCc1ccc(N)c(N(CC#N)CC#N)n1
InChIInChI=1S/C10H11N5/c1-8-2-3-9(13)10(14-8)15(6-4-11)7-5-12/h2-3H,6-7,13H2,1H3
InChIKeyGHUQQCVRUZYWRK-UHFFFAOYSA-N
XLogP0.83
TPSA89.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile?
The IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile (CID 81132990) is 2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile.
What is the SMILES notation for 2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile?
The canonical SMILES for 2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile is Cc1ccc(N)c(N(CC#N)CC#N)n1.
What is the InChIKey of 2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile?
The InChIKey is GHUQQCVRUZYWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-8-2-3-9(13)10(14-8)15(6-4-11)7-5-12/h2-3H,6-7,13H2,1H3.
What are the key properties of 2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile?
2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile has a molecular weight of 201.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-6-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile is sourced from PubChem (CID 81132990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).