1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine

C13H16N8 — CID 62627609

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
SMILESCC(NCc1nnnn1-c1ccccc1)c1nncn1C
InChIInChI=1S/C13H16N8/c1-10(13-17-15-9-20(13)2)14-8-12-16-18-19-21(12)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3
InChIKeyHQJRUFCPYKRPLO-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.64
Rot. Bonds5

About 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine

1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine (PubChem CID 62627609) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
PubChem CID62627609
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
SMILESCC(NCc1nnnn1-c1ccccc1)c1nncn1C
InChIInChI=1S/C13H16N8/c1-10(13-17-15-9-20(13)2)14-8-12-16-18-19-21(12)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3
InChIKeyHQJRUFCPYKRPLO-UHFFFAOYSA-N
XLogP0.64
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 62627608
N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine
CID 62627239
1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 60673289
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 103893693
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43703054
(1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine
CID 99851340
1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 47010886
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine (CID 62627609) is 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine is CC(NCc1nnnn1-c1ccccc1)c1nncn1C.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is HQJRUFCPYKRPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c1-10(13-17-15-9-20(13)2)14-8-12-16-18-19-21(12)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3.
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 284.33 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 62627609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).