N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine

C7H12N8 — CID 107042671

IUPACN-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine
SMILESCn1nnc(CNCCn2ccnn2)n1
InChIInChI=1S/C7H12N8/c1-14-11-7(10-13-14)6-8-2-4-15-5-3-9-12-15/h3,5,8H,2,4,6H2,1H3
InChIKeyJVFOGVFXGVGOCM-UHFFFAOYSA-N
MW208.23 g/mol
LogP-1.41
Rot. Bonds5

About N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine

N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine (PubChem CID 107042671) has the molecular formula C7H12N8 and a molecular weight of 208.23 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine
PubChem CID107042671
Molecular FormulaC7H12N8
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC NameN-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine
SMILESCn1nnc(CNCCn2ccnn2)n1
InChIInChI=1S/C7H12N8/c1-14-11-7(10-13-14)6-8-2-4-15-5-3-9-12-15/h3,5,8H,2,4,6H2,1H3
InChIKeyJVFOGVFXGVGOCM-UHFFFAOYSA-N
XLogP-1.41
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]-2-(triazol-1-yl)ethanamine
CID 113375127
N-[[4-(methoxymethyl)phenyl]methyl]-2-(triazol-1-yl)ethanamine
CID 113375117
N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine
CID 107042293
N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine
CID 102881039
2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 103002040
N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine
CID 107042048
N'-hydroxy-3-methyl-4-[[2-(triazol-1-yl)ethylamino]methyl]benzenecarboximidamide
CID 114483081
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 104879611
N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide
CID 107042158
N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide
CID 136824793
N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 106937288
2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042037

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine?
The IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine (CID 107042671) is N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine is Cn1nnc(CNCCn2ccnn2)n1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine?
The InChIKey is JVFOGVFXGVGOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N8/c1-14-11-7(10-13-14)6-8-2-4-15-5-3-9-12-15/h3,5,8H,2,4,6H2,1H3.
What are the key properties of N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine?
N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine has a molecular weight of 208.23 g/mol, XLogP of -1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine is sourced from PubChem (CID 107042671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).