N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine

C9H14N6 — CID 62118264

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCn1cnnc1CNCCn1cccn1
InChIInChI=1S/C9H14N6/c1-14-8-11-13-9(14)7-10-4-6-15-5-2-3-12-15/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyUIRWIJRONQTMCC-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.20
Rot. Bonds5

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 62118264) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID62118264
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCn1cnnc1CNCCn1cccn1
InChIInChI=1S/C9H14N6/c1-14-8-11-13-9(14)7-10-4-6-15-5-2-3-12-15/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyUIRWIJRONQTMCC-UHFFFAOYSA-N
XLogP-0.20
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.20
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',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 62116960
3-imidazol-1-yl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 62119548
N-[(3-methyltriazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
CID 115682458
N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115608318
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 62118462
2-(4-methyl-1,2,4-triazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 63332359
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895919
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66412559
7-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]octan-1-amine
CID 114004095
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]but-2-yn-1-amine
CID 62310554
2-methylidene-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 66044024

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine (CID 62118264) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine is Cn1cnnc1CNCCn1cccn1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is UIRWIJRONQTMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-14-8-11-13-9(14)7-10-4-6-15-5-2-3-12-15/h2-3,5,8,10H,4,6-7H2,1H3.
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 206.25 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 62118264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).