2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine

C18H16FN9 — CID 38870014

IUPAC2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(-c2nnn(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)n2)cc1
InChIInChI=1S/C18H16FN9/c1-11-2-4-12(5-3-11)16-25-27-28(26-16)10-15-22-17(20)24-18(23-15)21-14-8-6-13(19)7-9-14/h2-9H,10H2,1H3,(H3,20,21,22,23,24)
InChIKeyWCSACINWRDIBSA-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.35
Rot. Bonds5

About 2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine

2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 38870014) has the molecular formula C18H16FN9 and a molecular weight of 377.39 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID38870014
Molecular FormulaC18H16FN9
Molecular Weight377.39 g/mol
Exact Mass377.15
IUPAC Name2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(-c2nnn(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)n2)cc1
InChIInChI=1S/C18H16FN9/c1-11-2-4-12(5-3-11)16-25-27-28(26-16)10-15-22-17(20)24-18(23-15)21-14-8-6-13(19)7-9-14/h2-9H,10H2,1H3,(H3,20,21,22,23,24)
InChIKeyWCSACINWRDIBSA-UHFFFAOYSA-N
XLogP2.35
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 38870062
6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 142393995
6-(azepan-1-ylmethyl)-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 753517
2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 12655286
1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol
CID 110880190
2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 26634960
5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 47014414
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-(4-methylbenzoyl)benzoate
CID 27012987
4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 1463675
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-(4-methylphenoxy)propanoate
CID 55445003
6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 167847537
6-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 9381525

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 38870014) is 2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine is Cc1ccc(-c2nnn(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)n2)cc1.
What is the InChIKey of 2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WCSACINWRDIBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN9/c1-11-2-4-12(5-3-11)16-25-27-28(26-16)10-15-22-17(20)24-18(23-15)21-14-8-6-13(19)7-9-14/h2-9H,10H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine?
2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 377.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 38870014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).