N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine

C16H16N4O — CID 2215472

IUPACN-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine
SMILESC=CCOc1ccc2ccccc2c1CNc1ncn[nH]1
InChIInChI=1S/C16H16N4O/c1-2-9-21-15-8-7-12-5-3-4-6-13(12)14(15)10-17-16-18-11-19-20-16/h2-8,11H,1,9-10H2,(H2,17,18,19,20)
InChIKeyYROWSSROWZCJCX-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.13
Rot. Bonds6

About N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine

N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine (PubChem CID 2215472) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine
PubChem CID2215472
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine
SMILESC=CCOc1ccc2ccccc2c1CNc1ncn[nH]1
InChIInChI=1S/C16H16N4O/c1-2-9-21-15-8-7-12-5-3-4-6-13(12)14(15)10-17-16-18-11-19-20-16/h2-8,11H,1,9-10H2,(H2,17,18,19,20)
InChIKeyYROWSSROWZCJCX-UHFFFAOYSA-N
XLogP3.13
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-{3-methoxy-4-[(3-methylbenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amine
CID 834667
N-{3-methoxy-4-[(2-methylbenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amine
CID 834669
1-ethyl-N-[(2-methoxy-1-naphthyl)methyl]-1H-tetrazol-5-amine
CID 834710
3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 91827407
3-N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 118297734
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
CID 760178
N-({2-[(2-fluorobenzyl)oxy]-1-naphthyl}methyl)-2H-tetrazol-5-amine
CID 834196
N-({2-[(4-fluorobenzyl)oxy]naphthalen-1-yl}methyl)-2H-tetrazol-5-amine
CID 834197
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine
CID 834689
(2-Allyloxy-3-ethoxy-benzyl)-(1H-[1,2,4]triazol-3-yl)-amine
CID 2212990
N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine
CID 834540
1H-1,2,4-triazol-3-yl({2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)amin e
CID 1087688

Frequently Asked Questions

What is the IUPAC name of N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine (CID 2215472) is N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine is C=CCOc1ccc2ccccc2c1CNc1ncn[nH]1.
What is the InChIKey of N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine?
The InChIKey is YROWSSROWZCJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-9-21-15-8-7-12-5-3-4-6-13(12)14(15)10-17-16-18-11-19-20-16/h2-8,11H,1,9-10H2,(H2,17,18,19,20).
What are the key properties of N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine?
N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine has a molecular weight of 280.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 2215472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).