5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine

C14H18N6O — CID 120972223

IUPAC5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCc2n[nH]c(COc3ccccc3)n2)N1
InChIInChI=1S/C14H18N6O/c1-10-7-15-14(17-10)16-8-12-18-13(20-19-12)9-21-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,15,16,17)(H,18,19,20)
InChIKeyAJZCKOUCKWJDBZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.82
Rot. Bonds5

About 5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine

5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 120972223) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID120972223
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCc2n[nH]c(COc3ccccc3)n2)N1
InChIInChI=1S/C14H18N6O/c1-10-7-15-14(17-10)16-8-12-18-13(20-19-12)9-21-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,15,16,17)(H,18,19,20)
InChIKeyAJZCKOUCKWJDBZ-UHFFFAOYSA-N
XLogP0.82
TPSA87.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 120972223) is 5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine is CC1CN=C(NCc2n[nH]c(COc3ccccc3)n2)N1.
What is the InChIKey of 5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is AJZCKOUCKWJDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10-7-15-14(17-10)16-8-12-18-13(20-19-12)9-21-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,15,16,17)(H,18,19,20).
What are the key properties of 5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 286.34 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 120972223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).