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

C10H13ClN6 — CID 71727399

IUPAC1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile
SMILESCNc1nc(Cl)nc(NC2(C#N)CCCC2)n1
InChIInChI=1S/C10H13ClN6/c1-13-8-14-7(11)15-9(16-8)17-10(6-12)4-2-3-5-10/h2-5H2,1H3,(H2,13,14,15,16,17)
InChIKeyBYZJETGAXYFYFP-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.81
Rot. Bonds3

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

1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile (PubChem CID 71727399) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile
PubChem CID71727399
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile
SMILESCNc1nc(Cl)nc(NC2(C#N)CCCC2)n1
InChIInChI=1S/C10H13ClN6/c1-13-8-14-7(11)15-9(16-8)17-10(6-12)4-2-3-5-10/h2-5H2,1H3,(H2,13,14,15,16,17)
InChIKeyBYZJETGAXYFYFP-UHFFFAOYSA-N
XLogP1.81
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutanenitrile
CID 449582
2-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutanenitrile
CID 71727397
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]cycloheptane-1-carbonitrile
CID 71727400
2-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-propylpentanenitrile
CID 71727401
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-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727608
1-[[4,6-Bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727609
1-[[4-(Cyclopentylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727610
1-[[4-(Dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727612
1-[[4-Amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727507

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile (CID 71727399) is 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile is CNc1nc(Cl)nc(NC2(C#N)CCCC2)n1.
What is the InChIKey of 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile?
The InChIKey is BYZJETGAXYFYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-13-8-14-7(11)15-9(16-8)17-10(6-12)4-2-3-5-10/h2-5H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile?
1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile has a molecular weight of 252.71 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 71727399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).