3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine

C9H14N6 — CID 107042795

IUPAC3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nn(Cc2cn(C)nn2)c(C)c1N
InChIInChI=1S/C9H14N6/c1-6-9(10)7(2)15(12-6)5-8-4-14(3)13-11-8/h4H,5,10H2,1-3H3
InChIKeyOOYNCSFEFHEQIX-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.26
Rot. Bonds2

About 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine

3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 107042795) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine
PubChem CID107042795
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nn(Cc2cn(C)nn2)c(C)c1N
InChIInChI=1S/C9H14N6/c1-6-9(10)7(2)15(12-6)5-8-4-14(3)13-11-8/h4H,5,10H2,1-3H3
InChIKeyOOYNCSFEFHEQIX-UHFFFAOYSA-N
XLogP0.26
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde
CID 107045387
3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-sulfonyl chloride
CID 107051964
N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 107053678
3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 61311263
5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole
CID 130616524
4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole
CID 104952375
1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole
CID 107054359
1-[3-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]ethanone
CID 130566901
4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole
CID 107058851
1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
CID 45052778
4-[[5-(1-bromoethyl)triazol-1-yl]methyl]-1-methyltriazole
CID 130567324
1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
CID 90484280

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine (CID 107042795) is 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine is Cc1nn(Cc2cn(C)nn2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is OOYNCSFEFHEQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-6-9(10)7(2)15(12-6)5-8-4-14(3)13-11-8/h4H,5,10H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine?
3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 206.25 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 107042795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).