4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine

C8H13N7 — CID 82237287

IUPAC4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine
SMILESCC(Nc1cn[nH]c1N)c1nncn1C
InChIInChI=1S/C8H13N7/c1-5(8-14-11-4-15(8)2)12-6-3-10-13-7(6)9/h3-5,12H,1-2H3,(H3,9,10,13)
InChIKeyGADVGYWQTOODJW-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.29
Rot. Bonds3

About 4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine

4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine (PubChem CID 82237287) has the molecular formula C8H13N7 and a molecular weight of 207.24 g/mol. Its IUPAC name is 4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine
PubChem CID82237287
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine
SMILESCC(Nc1cn[nH]c1N)c1nncn1C
InChIInChI=1S/C8H13N7/c1-5(8-14-11-4-15(8)2)12-6-3-10-13-7(6)9/h3-5,12H,1-2H3,(H3,9,10,13)
InChIKeyGADVGYWQTOODJW-UHFFFAOYSA-N
XLogP0.29
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine (CID 82237287) is 4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine is CC(Nc1cn[nH]c1N)c1nncn1C.
What is the InChIKey of 4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine?
The InChIKey is GADVGYWQTOODJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7/c1-5(8-14-11-4-15(8)2)12-6-3-10-13-7(6)9/h3-5,12H,1-2H3,(H3,9,10,13).
What are the key properties of 4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine?
4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine has a molecular weight of 207.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82237287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).