1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine

C11H12N6 — CID 117328812

IUPAC1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine
SMILESCn1ncc(-c2ccc3c(c2)nnn3C)c1N
InChIInChI=1S/C11H12N6/c1-16-10-4-3-7(5-9(10)14-15-16)8-6-13-17(2)11(8)12/h3-6H,12H2,1-2H3
InChIKeyCIHCGIBMFVUOLV-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.95
Rot. Bonds1

About 1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine

1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine (PubChem CID 117328812) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine
PubChem CID117328812
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine
SMILESCn1ncc(-c2ccc3c(c2)nnn3C)c1N
InChIInChI=1S/C11H12N6/c1-16-10-4-3-7(5-9(10)14-15-16)8-6-13-17(2)11(8)12/h3-6H,12H2,1-2H3
InChIKeyCIHCGIBMFVUOLV-UHFFFAOYSA-N
XLogP0.95
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
4-(9-ethylcarbazol-3-yl)-1-methylpyrazol-5-amine
CID 117469258
4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine
CID 117399664
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
CID 115112491
4-(4-ethyl-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117307110
5-(furan-2-yl)-1-methylbenzotriazole
CID 168525527
4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine
CID 117305388
4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117387554
4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine
CID 117397140
5-iodo-1-methylbenzotriazole
CID 10061094
4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine
CID 117471763

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine (CID 117328812) is 1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine is Cn1ncc(-c2ccc3c(c2)nnn3C)c1N.
What is the InChIKey of 1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine?
The InChIKey is CIHCGIBMFVUOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-16-10-4-3-7(5-9(10)14-15-16)8-6-13-17(2)11(8)12/h3-6H,12H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine?
1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine has a molecular weight of 228.26 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine is sourced from PubChem (CID 117328812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).