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

C10H13ClN6 — CID 163906348

IUPAC2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile
SMILESCNc1nc(Cl)nc(NC(C)(C#N)C2CC2)n1
InChIInChI=1S/C10H13ClN6/c1-10(5-12,6-3-4-6)17-9-15-7(11)14-8(13-2)16-9/h6H,3-4H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyQOFZLHIBICKTFK-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.67
Rot. Bonds4

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

2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile (PubChem CID 163906348) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile.

Molecular Properties

Compound Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile
PubChem CID163906348
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile
SMILESCNc1nc(Cl)nc(NC(C)(C#N)C2CC2)n1
InChIInChI=1S/C10H13ClN6/c1-10(5-12,6-3-4-6)17-9-15-7(11)14-8(13-2)16-9/h6H,3-4H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyQOFZLHIBICKTFK-UHFFFAOYSA-N
XLogP1.67
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile?
The IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile (CID 163906348) is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile.
What is the SMILES notation for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile?
The canonical SMILES for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile is CNc1nc(Cl)nc(NC(C)(C#N)C2CC2)n1.
What is the InChIKey of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile?
The InChIKey is QOFZLHIBICKTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-10(5-12,6-3-4-6)17-9-15-7(11)14-8(13-2)16-9/h6H,3-4H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile?
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile has a molecular weight of 252.71 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile is sourced from PubChem (CID 163906348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).