3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine

C19H24N6O — CID 155542390

IUPAC3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCCN(CC)c1cccc(Oc2ccccc2CNc2n[nH]c(N)n2)c1
InChIInChI=1S/C19H24N6O/c1-3-25(4-2)15-9-7-10-16(12-15)26-17-11-6-5-8-14(17)13-21-19-22-18(20)23-24-19/h5-12H,3-4,13H2,1-2H3,(H4,20,21,22,23,24)
InChIKeyPLXCUOHIBDDSHL-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.64
Rot. Bonds8

About 3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 155542390) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID155542390
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCCN(CC)c1cccc(Oc2ccccc2CNc2n[nH]c(N)n2)c1
InChIInChI=1S/C19H24N6O/c1-3-25(4-2)15-9-7-10-16(12-15)26-17-11-6-5-8-14(17)13-21-19-22-18(20)23-24-19/h5-12H,3-4,13H2,1-2H3,(H4,20,21,22,23,24)
InChIKeyPLXCUOHIBDDSHL-UHFFFAOYSA-N
XLogP3.64
TPSA92.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4-[(2-methoxybenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine
CID 851512
N-{4-[(4-ethoxybenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine
CID 851513
3-N-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 123440770
3-N-[[2-chloro-6-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 155512887
N~3~-(2-methoxybenzyl)-1-phenyl-1H-1,2,4-triazole-3,5-diamine
CID 3596504
3-N-[(4-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine
CID 6620940
1-(3,4-difluorophenyl)-N-(2-methyl-3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 134589925
1-(3,5-difluorophenyl)-N-(2-methyl-3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 134590036
N-(4-{[4-(benzyloxy)benzyl]amino}benzyl)-1H-1,2,4-triazol-5-amine
CID 979430
N~3~-[4-(benzyloxy)benzyl]-1-phenyl-1H-1,2,4-triazole-3,5-diamine
CID 1287956
3-Amino-5-o-methoxybenzylamino-1-phenyl-1,2,4-triazole
CID 10851400
N-((3-(Amino(4-fluorophenyl)methyl)-1H-1,2,4-triazol-5-yl)methyl)-3-methoxyaniline
CID 84221530

Frequently Asked Questions

What is the IUPAC name of 3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine (CID 155542390) is 3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine is CCN(CC)c1cccc(Oc2ccccc2CNc2n[nH]c(N)n2)c1.
What is the InChIKey of 3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is PLXCUOHIBDDSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-3-25(4-2)15-9-7-10-16(12-15)26-17-11-6-5-8-14(17)13-21-19-22-18(20)23-24-19/h5-12H,3-4,13H2,1-2H3,(H4,20,21,22,23,24).
What are the key properties of 3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 352.44 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[2-[3-(diethylamino)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 155542390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).