N-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine

C14H14N4 — CID 65362557

IUPACN-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCNC(c1ccc2ccccc2c1)c1ncn[nH]1
InChIInChI=1S/C14H14N4/c1-15-13(14-16-9-17-18-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13,15H,1H3,(H,16,17,18)
InChIKeyGBNYIEJNRGXCPO-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.27
Rot. Bonds3

About N-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine

N-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 65362557) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID65362557
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCNC(c1ccc2ccccc2c1)c1ncn[nH]1
InChIInChI=1S/C14H14N4/c1-15-13(14-16-9-17-18-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13,15H,1H3,(H,16,17,18)
InChIKeyGBNYIEJNRGXCPO-UHFFFAOYSA-N
XLogP2.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 43486537
1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548139
1-(3-methoxypyrazin-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 104515510
N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64547875
N-methyl-1-naphthalen-2-yl-1-(1,3-thiazol-2-yl)methanamine
CID 61330720
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 103716304
1-(2-chlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 62716429
N-[(3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360196
N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine
CID 62716593
N-[(3-chlorophenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360528
[(4-phenylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230368
1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106691917

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine (CID 65362557) is N-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine is CNC(c1ccc2ccccc2c1)c1ncn[nH]1.
What is the InChIKey of N-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is GBNYIEJNRGXCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-15-13(14-16-9-17-18-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13,15H,1H3,(H,16,17,18).
What are the key properties of N-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine?
N-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 238.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-naphthalen-2-yl-1-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 65362557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).