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

C12H19N7 — CID 71727609

IUPAC1-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(NC)nc(NC2(C#N)CCCCC2)n1
InChIInChI=1S/C12H19N7/c1-14-9-16-10(15-2)18-11(17-9)19-12(8-13)6-4-3-5-7-12/h3-7H2,1-2H3,(H3,14,15,16,17,18,19)
InChIKeyRUVRXILFURZNCO-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.59
Rot. Bonds4

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

1-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (PubChem CID 71727609) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
PubChem CID71727609
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name1-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
SMILESCNc1nc(NC)nc(NC2(C#N)CCCCC2)n1
InChIInChI=1S/C12H19N7/c1-14-9-16-10(15-2)18-11(17-9)19-12(8-13)6-4-3-5-7-12/h3-7H2,1-2H3,(H3,14,15,16,17,18,19)
InChIKeyRUVRXILFURZNCO-UHFFFAOYSA-N
XLogP1.59
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727398
1-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile
CID 71727399
1-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cycloheptane-1-carbonitrile
CID 71727400
2-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-propylpentanenitrile
CID 71727401
6-chloro-2-N-(1-ethynylcyclohexyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 71727402
1-[[4-Chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727500
1-[[4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727501
1-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile
CID 71727502
1-[[4-Cyclopropyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727503
4-[(1-Cyanocyclohexyl)amino]-6-(methylamino)-1,3,5-triazine-2-carbonitrile
CID 71727504
1-[[4-Methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727505
1-[[4-(Methylamino)-6-(methylthio)-1,3,5-triazin-2-yl]amino]cyclohexanecarbonitrile
CID 71727506

Frequently Asked Questions

What is the IUPAC name of 1-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile (CID 71727609) is 1-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is CNc1nc(NC)nc(NC2(C#N)CCCCC2)n1.
What is the InChIKey of 1-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
The InChIKey is RUVRXILFURZNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-14-9-16-10(15-2)18-11(17-9)19-12(8-13)6-4-3-5-7-12/h3-7H2,1-2H3,(H3,14,15,16,17,18,19).
What are the key properties of 1-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile?
1-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71727609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).