N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine

C13H22N6 — CID 107465069

IUPACN-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nn(C)cc1-n1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C13H22N6/c1-6-11-12(9-18(5)16-11)19-8-10(15-17-19)7-14-13(2,3)4/h8-9,14H,6-7H2,1-5H3
InChIKeyHIOPPJJMCXRRPQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.45
Rot. Bonds4

About N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107465069) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID107465069
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nn(C)cc1-n1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C13H22N6/c1-6-11-12(9-18(5)16-11)19-8-10(15-17-19)7-14-13(2,3)4/h8-9,14H,6-7H2,1-5H3
InChIKeyHIOPPJJMCXRRPQ-UHFFFAOYSA-N
XLogP1.45
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine
CID 107464601
N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103587740
N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66194590
N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66205851
N-[[1-(4-bromo-2-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66206890
N-[[1-(2-bromo-5-chloro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 104725463
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[[1-(2,6-dibromo-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66206885
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
N-[[1-[2-[ethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62422705
N-[[1-(2-chloro-5-nitrophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66204273
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 107465069) is N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine is CCc1nn(C)cc1-n1cc(CNC(C)(C)C)nn1.
What is the InChIKey of N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HIOPPJJMCXRRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-6-11-12(9-18(5)16-11)19-8-10(15-17-19)7-14-13(2,3)4/h8-9,14H,6-7H2,1-5H3.
What are the key properties of N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 262.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107465069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).