3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine

C10H10N6 — CID 103079000

IUPAC3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(-n2nnc3ccccc32)n1
InChIInChI=1S/C10H10N6/c1-15-6-7(11)10(13-15)16-9-5-3-2-4-8(9)12-14-16/h2-6H,11H2,1H3
InChIKeyBOMBGWQBDIJRGX-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.74
Rot. Bonds1

About 3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine

3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine (PubChem CID 103079000) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine
PubChem CID103079000
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(-n2nnc3ccccc32)n1
InChIInChI=1S/C10H10N6/c1-15-6-7(11)10(13-15)16-9-5-3-2-4-8(9)12-14-16/h2-6H,11H2,1H3
InChIKeyBOMBGWQBDIJRGX-UHFFFAOYSA-N
XLogP0.74
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine
CID 103078998
2-(benzotriazol-1-yl)pyridin-3-amine
CID 42281444
2-(benzotriazol-1-yl)-6-chloropyridin-3-amine
CID 113317011
6-(benzotriazol-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19137065
3-(benzotriazol-1-yl)-2,5-dimethylaniline
CID 175638112
6-(benzotriazol-1-yl)-5-nitropyridin-2-amine
CID 80853759
2-(benzotriazol-1-yl)-4-fluoroaniline
CID 62376112
CID 68739763
CID 68739763
1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine
CID 103077808
6-(benzotriazol-1-yl)pyridin-3-amine
CID 29082003
1-(1H-indazol-3-yl)benzotriazole
CID 45104174
6-(benzotriazol-1-yl)-4-N-propylpyrimidine-4,5-diamine
CID 19135548

Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine (CID 103079000) is 3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine is Cn1cc(N)c(-n2nnc3ccccc32)n1.
What is the InChIKey of 3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine?
The InChIKey is BOMBGWQBDIJRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c1-15-6-7(11)10(13-15)16-9-5-3-2-4-8(9)12-14-16/h2-6H,11H2,1H3.
What are the key properties of 3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine?
3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine has a molecular weight of 214.23 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 103079000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).