N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C13H22N6 — CID 105184598

IUPACN-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1c(C)nn(C)c1C)c1cnnn1C
InChIInChI=1S/C13H22N6/c1-9-11(10(2)18(4)16-9)6-7-12(14-3)13-8-15-17-19(13)5/h8,12,14H,6-7H2,1-5H3
InChIKeyDCSHWKRWSWIDBW-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.06
Rot. Bonds5

About N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 105184598) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID105184598
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1c(C)nn(C)c1C)c1cnnn1C
InChIInChI=1S/C13H22N6/c1-9-11(10(2)18(4)16-9)6-7-12(14-3)13-8-15-17-19(13)5/h8,12,14H,6-7H2,1-5H3
InChIKeyDCSHWKRWSWIDBW-UHFFFAOYSA-N
XLogP1.06
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105142044
1-(1-ethylpyrazol-4-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105109061
3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine
CID 105043353
1-(cyclohepten-1-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 106657055
N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114687748
2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687515
N-propyl-1-pyrimidin-5-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105119127
[1-pyrazin-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105308736
[1-(2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105292407
6,6,6-trifluoro-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine
CID 105156384
[1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105287115
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105158616

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 105184598) is N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is CNC(CCc1c(C)nn(C)c1C)c1cnnn1C.
What is the InChIKey of N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is DCSHWKRWSWIDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-9-11(10(2)18(4)16-9)6-7-12(14-3)13-8-15-17-19(13)5/h8,12,14H,6-7H2,1-5H3.
What are the key properties of N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 262.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105184598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).