5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine

C9H10FN5 — CID 91733911

IUPAC5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
SMILESCNc1n[nH]c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C9H10FN5/c1-11-8-13-9(15-14-8)12-7-4-2-6(10)3-5-7/h2-5H,1H3,(H3,11,12,13,14,15)
InChIKeyXMTBPMSCYOGVAV-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.73
Rot. Bonds3

About 5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine

5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 91733911) has the molecular formula C9H10FN5 and a molecular weight of 207.21 g/mol. Its IUPAC name is 5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
PubChem CID91733911
Molecular FormulaC9H10FN5
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
SMILESCNc1n[nH]c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C9H10FN5/c1-11-8-13-9(15-14-8)12-7-4-2-6(10)3-5-7/h2-5H,1H3,(H3,11,12,13,14,15)
InChIKeyXMTBPMSCYOGVAV-UHFFFAOYSA-N
XLogP1.73
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N5-Phenyl-1H-1,2,4-triazole-3,5-diamine
CID 76819
N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine
CID 2730436
5-[(3-methylbut-2-en-1-yl)sulfanyl]-N-phenyl-4H-1,2,4-triazol-3-amine
CID 16756267
5-(methylsulfanyl)-N-phenyl-4H-1,2,4-triazol-3-amine
CID 10198172
5-(4-Phenyl-1-piperazinyl)-1H-1,2,4-triazol-3-amine
CID 2764704
N-methyl-1-phenyl-1H-1,2,3,4-tetrazol-5-amine
CID 285158
1-Phenyl-1H-1,2,4-triazole-3,5-diamine
CID 98510
N-(4-Fluoro-phenyl)-6-hydrazino-N',N'-dimethyl-[1,3,5]triazine-2,4-diamine
CID 785754
N-(4-fluorophenyl)-N'-4H-1,2,4-triazol-4-ylurea
CID 4243596
6-Hydrazino-N-methyl-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 802543
N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 720561
1-Propyl-5-(phenylamino)-1H-tetrazole
CID 555572

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine (CID 91733911) is 5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine is CNc1n[nH]c(Nc2ccc(F)cc2)n1.
What is the InChIKey of 5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is XMTBPMSCYOGVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5/c1-11-8-13-9(15-14-8)12-7-4-2-6(10)3-5-7/h2-5H,1H3,(H3,11,12,13,14,15).
What are the key properties of 5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 207.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-fluorophenyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 91733911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).