3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide

C19H16Cl2N4O — CID 6405139

IUPAC3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide
SMILESCC(C)NC(=O)c1nc(-c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N4O/c1-11(2)22-19(26)17-16(12-3-7-14(20)8-4-12)24-25-18(23-17)13-5-9-15(21)10-6-13/h3-11H,1-2H3,(H,22,26)
InChIKeyBBEVSLRQVZTVJM-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.65
Rot. Bonds4

About 3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide

3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide (PubChem CID 6405139) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide.

Molecular Properties

Compound Name3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide
PubChem CID6405139
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide
SMILESCC(C)NC(=O)c1nc(-c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N4O/c1-11(2)22-19(26)17-16(12-3-7-14(20)8-4-12)24-25-18(23-17)13-5-9-15(21)10-6-13/h3-11H,1-2H3,(H,22,26)
InChIKeyBBEVSLRQVZTVJM-UHFFFAOYSA-N
XLogP4.65
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 24045
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6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
4-(4-chlorophenyl)-N-propan-2-ylisoquinoline-6-carboxamide
CID 86282530
2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
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5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine
CID 134997336
6-chloro-N-propan-2-ylquinoxaline-2-carboxamide
CID 171573867
2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 82169881
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
4-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
CID 100751426
4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
CID 133200562
2-N-(2,5-dichlorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093790

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide?
The IUPAC name of 3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide (CID 6405139) is 3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide.
What is the SMILES notation for 3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide?
The canonical SMILES for 3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide is CC(C)NC(=O)c1nc(-c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of 3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide?
The InChIKey is BBEVSLRQVZTVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-11(2)22-19(26)17-16(12-3-7-14(20)8-4-12)24-25-18(23-17)13-5-9-15(21)10-6-13/h3-11H,1-2H3,(H,22,26).
What are the key properties of 3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide?
3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-chlorophenyl)-N-propan-2-yl-1,2,4-triazine-5-carboxamide is sourced from PubChem (CID 6405139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).