1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile

C14H20N6 — CID 71727503

IUPAC1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(NC2(C#N)CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C14H20N6/c1-16-12-17-11(10-5-6-10)18-13(19-12)20-14(9-15)7-3-2-4-8-14/h10H,2-8H2,1H3,(H2,16,17,18,19,20)
InChIKeyRAQWULABCGLUNW-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.43
Rot. Bonds4

About 1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile

1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (PubChem CID 71727503) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
PubChem CID71727503
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(NC2(C#N)CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C14H20N6/c1-16-12-17-11(10-5-6-10)18-13(19-12)20-14(9-15)7-3-2-4-8-14/h10H,2-8H2,1H3,(H2,16,17,18,19,20)
InChIKeyRAQWULABCGLUNW-UHFFFAOYSA-N
XLogP2.43
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (CID 71727503) is 1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is CNc1nc(NC2(C#N)CCCCC2)nc(C2CC2)n1.
What is the InChIKey of 1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The InChIKey is RAQWULABCGLUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-16-12-17-11(10-5-6-10)18-13(19-12)20-14(9-15)7-3-2-4-8-14/h10H,2-8H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile has a molecular weight of 272.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71727503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).