N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine

C10H14N6 — CID 106937288

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine
SMILESC=Cn1cc(CNCCn2ccnn2)cn1
InChIInChI=1S/C10H14N6/c1-2-15-9-10(8-13-15)7-11-3-5-16-6-4-12-14-16/h2,4,6,8-9,11H,1,3,5,7H2
InChIKeyPIPYTOZBHFVNQW-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.36
Rot. Bonds6

About N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine

N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine (PubChem CID 106937288) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine
PubChem CID106937288
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine
SMILESC=Cn1cc(CNCCn2ccnn2)cn1
InChIInChI=1S/C10H14N6/c1-2-15-9-10(8-13-15)7-11-3-5-16-6-4-12-14-16/h2,4,6,8-9,11H,1,3,5,7H2
InChIKeyPIPYTOZBHFVNQW-UHFFFAOYSA-N
XLogP0.36
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
2-(4-chlorophenyl)-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106935437
5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107302920
N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine
CID 102881039
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
2-but-3-enoxy-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 107094823
N-[[4-(methoxymethyl)phenyl]methyl]-2-(triazol-1-yl)ethanamine
CID 113375117
4-[(1-ethenylpyrazol-4-yl)methylamino]butanoic acid
CID 106936422
N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 106937156
N-[(1-ethenylpyrazol-4-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 106936815
N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 106935124

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine (CID 106937288) is N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine is C=Cn1cc(CNCCn2ccnn2)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine?
The InChIKey is PIPYTOZBHFVNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-2-15-9-10(8-13-15)7-11-3-5-16-6-4-12-14-16/h2,4,6,8-9,11H,1,3,5,7H2.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine?
N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine has a molecular weight of 218.26 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine is sourced from PubChem (CID 106937288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).