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

C14H18N8 — CID 71727841

IUPAC1-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(NC2(C#N)CCCCC2)nc(-n2cccn2)n1
InChIInChI=1S/C14H18N8/c1-16-11-18-12(20-13(19-11)22-9-5-8-17-22)21-14(10-15)6-3-2-4-7-14/h5,8-9H,2-4,6-7H2,1H3,(H2,16,18,19,20,21)
InChIKeyAEKJLTZHFXMSBO-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.74
Rot. Bonds4

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

1-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (PubChem CID 71727841) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
PubChem CID71727841
Molecular FormulaC14H18N8
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name1-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(NC2(C#N)CCCCC2)nc(-n2cccn2)n1
InChIInChI=1S/C14H18N8/c1-16-11-18-12(20-13(19-11)22-9-5-8-17-22)21-14(10-15)6-3-2-4-7-14/h5,8-9H,2-4,6-7H2,1H3,(H2,16,18,19,20,21)
InChIKeyAEKJLTZHFXMSBO-UHFFFAOYSA-N
XLogP1.74
TPSA104.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (CID 71727841) is 1-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is CNc1nc(NC2(C#N)CCCCC2)nc(-n2cccn2)n1.
What is the InChIKey of 1-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The InChIKey is AEKJLTZHFXMSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8/c1-16-11-18-12(20-13(19-11)22-9-5-8-17-22)21-14(10-15)6-3-2-4-7-14/h5,8-9H,2-4,6-7H2,1H3,(H2,16,18,19,20,21).
What are the key properties of 1-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
1-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71727841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).