4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

C19H21N7 — CID 24779675

IUPAC4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
SMILESN#Cc1cnn2c(Nc3ccccc3)nc(NCC3CCCCC3)nc12
InChIInChI=1S/C19H21N7/c20-11-15-13-22-26-17(15)24-18(21-12-14-7-3-1-4-8-14)25-19(26)23-16-9-5-2-6-10-16/h2,5-6,9-10,13-14H,1,3-4,7-8,12H2,(H2,21,23,24,25)
InChIKeyNCVMTHVSAJMOPI-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.73
Rot. Bonds5

About 4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile (PubChem CID 24779675) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile.

Molecular Properties

Compound Name4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
PubChem CID24779675
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
SMILESN#Cc1cnn2c(Nc3ccccc3)nc(NCC3CCCCC3)nc12
InChIInChI=1S/C19H21N7/c20-11-15-13-22-26-17(15)24-18(21-12-14-7-3-1-4-8-14)25-19(26)23-16-9-5-2-6-10-16/h2,5-6,9-10,13-14H,1,3-4,7-8,12H2,(H2,21,23,24,25)
InChIKeyNCVMTHVSAJMOPI-UHFFFAOYSA-N
XLogP3.73
TPSA90.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The IUPAC name of 4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile (CID 24779675) is 4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile.
What is the SMILES notation for 4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The canonical SMILES for 4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile is N#Cc1cnn2c(Nc3ccccc3)nc(NCC3CCCCC3)nc12.
What is the InChIKey of 4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The InChIKey is NCVMTHVSAJMOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c20-11-15-13-22-26-17(15)24-18(21-12-14-7-3-1-4-8-14)25-19(26)23-16-9-5-2-6-10-16/h2,5-6,9-10,13-14H,1,3-4,7-8,12H2,(H2,21,23,24,25).
What are the key properties of 4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile has a molecular weight of 347.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile is sourced from PubChem (CID 24779675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).