1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine

C15H14F6N4 — CID 20601380

IUPAC1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
SMILESCC(CNc1ccc(C(F)(F)F)cn1)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H14F6N4/c1-9(25-13-5-3-11(8-24-13)15(19,20)21)6-22-12-4-2-10(7-23-12)14(16,17)18/h2-5,7-9H,6H2,1H3,(H,22,23)(H,24,25)
InChIKeyHOQAOGNHCQOKNC-UHFFFAOYSA-N
MW364.29 g/mol
LogP4.43
Rot. Bonds5

About 1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine

1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine (PubChem CID 20601380) has the molecular formula C15H14F6N4 and a molecular weight of 364.29 g/mol. Its IUPAC name is 1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
PubChem CID20601380
Molecular FormulaC15H14F6N4
Molecular Weight364.29 g/mol
Exact Mass364.11
IUPAC Name1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
SMILESCC(CNc1ccc(C(F)(F)F)cn1)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H14F6N4/c1-9(25-13-5-3-11(8-24-13)15(19,20)21)6-22-12-4-2-10(7-23-12)14(16,17)18/h2-5,7-9H,6H2,1H3,(H,22,23)(H,24,25)
InChIKeyHOQAOGNHCQOKNC-UHFFFAOYSA-N
XLogP4.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzylamino)pyridine
CID 23362
2,2'-Dipyridylamine
CID 14547
1-(2-Pyridyl)piperazine
CID 94459
Jnj-17203212
CID 11339118
2-Amino-5-(trifluoromethyl)pyridine
CID 735862
WZ 811
CID 11565518
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
Thiourea, N-(2-(2,6-difluorophenyl)ethyl)-N'-(5-methyl-2-pyridinyl)-
CID 3001122

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine (CID 20601380) is 1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine is CC(CNc1ccc(C(F)(F)F)cn1)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine?
The InChIKey is HOQAOGNHCQOKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6N4/c1-9(25-13-5-3-11(8-24-13)15(19,20)21)6-22-12-4-2-10(7-23-12)14(16,17)18/h2-5,7-9H,6H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine?
1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine has a molecular weight of 364.29 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine is sourced from PubChem (CID 20601380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).