N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine

C13H12N4 — CID 62022406

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine
SMILESc1ccc2cc(NCc3ncn[nH]3)ccc2c1
InChIInChI=1S/C13H12N4/c1-2-4-11-7-12(6-5-10(11)3-1)14-8-13-15-9-16-17-13/h1-7,9,14H,8H2,(H,15,16,17)
InChIKeyUTUUGKZXBRNPJH-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.57
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine

N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine (PubChem CID 62022406) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine
PubChem CID62022406
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine
SMILESc1ccc2cc(NCc3ncn[nH]3)ccc2c1
InChIInChI=1S/C13H12N4/c1-2-4-11-7-12(6-5-10(11)3-1)14-8-13-15-9-16-17-13/h1-7,9,14H,8H2,(H,15,16,17)
InChIKeyUTUUGKZXBRNPJH-UHFFFAOYSA-N
XLogP2.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline
CID 61360412
N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine
CID 21130226
N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine
CID 62022596
N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
2-propan-2-yloxy-4-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,4-diamine
CID 83001895
1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548139
N-(thiophen-2-ylmethyl)naphthalen-2-amine
CID 4674609
4-(difluoromethylsulfonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)aniline
CID 54884844
5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine
CID 106193127
5-fluoro-3-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,3-diamine
CID 64546495
N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64547875
2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine
CID 106193165

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine (CID 62022406) is N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine is c1ccc2cc(NCc3ncn[nH]3)ccc2c1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine?
The InChIKey is UTUUGKZXBRNPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-4-11-7-12(6-5-10(11)3-1)14-8-13-15-9-16-17-13/h1-7,9,14H,8H2,(H,15,16,17).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine?
N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine has a molecular weight of 224.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine is sourced from PubChem (CID 62022406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).