N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine

C13H22N6 — CID 63332595

IUPACN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(C)c1nn(C)cc1CNCCc1nncn1C
InChIInChI=1S/C13H22N6/c1-10(2)13-11(8-19(4)17-13)7-14-6-5-12-16-15-9-18(12)3/h8-10,14H,5-7H2,1-4H3
InChIKeyFRNKUSVMINDAIT-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.00
Rot. Bonds6

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

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 63332595) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID63332595
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(C)c1nn(C)cc1CNCCc1nncn1C
InChIInChI=1S/C13H22N6/c1-10(2)13-11(8-19(4)17-13)7-14-6-5-12-16-15-9-18(12)3/h8-10,14H,5-7H2,1-4H3
InChIKeyFRNKUSVMINDAIT-UHFFFAOYSA-N
XLogP1.00
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.00
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

(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 106932117
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]benzene-1,2,3-triol
CID 107730834
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentan-1-amine
CID 54893522
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 55139434
2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 63328798
N',N'-diethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 43761834
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine
CID 60912731
N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332710
N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
CID 63332293
2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 63332413

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 63332595) is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine is CC(C)c1nn(C)cc1CNCCc1nncn1C.
What is the InChIKey of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is FRNKUSVMINDAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-10(2)13-11(8-19(4)17-13)7-14-6-5-12-16-15-9-18(12)3/h8-10,14H,5-7H2,1-4H3.
What are the key properties of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 262.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 63332595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).