N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine

C14H18N6O — CID 120971559

IUPACN-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(-n2cc(CNC3=NCCN3C)nn2)cc1
InChIInChI=1S/C14H18N6O/c1-19-8-7-15-14(19)16-9-11-10-20(18-17-11)12-3-5-13(21-2)6-4-12/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyHHIZOGCGRDLTTP-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.67
Rot. Bonds4

About N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120971559) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120971559
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(-n2cc(CNC3=NCCN3C)nn2)cc1
InChIInChI=1S/C14H18N6O/c1-19-8-7-15-14(19)16-9-11-10-20(18-17-11)12-3-5-13(21-2)6-4-12/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyHHIZOGCGRDLTTP-UHFFFAOYSA-N
XLogP0.67
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66204621
2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine
CID 66204828
N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970233
5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one
CID 71921414
1-cyclopropyl-3-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methylurea
CID 71855557
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971952
N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970232
N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971833
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133490929
1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122125841
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970800
[1-(4-methoxyphenyl)triazol-4-yl]methyl acetate
CID 11413946

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120971559) is N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine is COc1ccc(-n2cc(CNC3=NCCN3C)nn2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is HHIZOGCGRDLTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-19-8-7-15-14(19)16-9-11-10-20(18-17-11)12-3-5-13(21-2)6-4-12/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 286.34 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120971559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).