5-N,5-N,1-trimethylpyrazole-4,5-diamine

C6H12N4 — CID 18668124

IUPAC5-N,5-N,1-trimethylpyrazole-4,5-diamine
SMILESCN(C)c1c(N)cnn1C
InChIInChI=1S/C6H12N4/c1-9(2)6-5(7)4-8-10(6)3/h4H,7H2,1-3H3
InChIKeyIZRWMWMIMRCBGC-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.07
Rot. Bonds1

About 5-N,5-N,1-trimethylpyrazole-4,5-diamine

5-N,5-N,1-trimethylpyrazole-4,5-diamine (PubChem CID 18668124) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-N,5-N,1-trimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,5-N,1-trimethylpyrazole-4,5-diamine
PubChem CID18668124
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name5-N,5-N,1-trimethylpyrazole-4,5-diamine
SMILESCN(C)c1c(N)cnn1C
InChIInChI=1S/C6H12N4/c1-9(2)6-5(7)4-8-10(6)3/h4H,7H2,1-3H3
InChIKeyIZRWMWMIMRCBGC-UHFFFAOYSA-N
XLogP0.07
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazole, 4,5-diamine-1-methyl-, sulfate (1:1)
CID 21904571
1-methyl-1H-pyrazole-4,5-diamine hydrochloride
CID 68601034
1-Methyl-1H-pyrazole-3,4-diamine dihydrochloride
CID 75531037
1-Methyl-1H-pyrazole-4,5-diamine
CID 10290764
1H-Pyrazol-4-amine, 1-methyl-5-nitro-
CID 588333
1-Ethyl-4-nitrosopyrazol-5-amine;hydrochloride
CID 353773
1-ethyl-4-nitroso-1H-pyrazol-5-amine
CID 353774
N-Isopropyl 4,5-diamino pyrazole sulfate
CID 18541936
5-Amino-1-methyl-4-nitrosopyrazole
CID 12851580
1-Ethyl-1H-pyrazole-3,4-diamine
CID 66509601
1-[2-(dimethylamino)ethyl]-1H-pyrazol-5-amine
CID 62687684
1-Methyl-1H-pyrazole-4,5-diamine dihydrochloride
CID 13525020

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,1-trimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N,5-N,1-trimethylpyrazole-4,5-diamine (CID 18668124) is 5-N,5-N,1-trimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N,5-N,1-trimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N,5-N,1-trimethylpyrazole-4,5-diamine is CN(C)c1c(N)cnn1C.
What is the InChIKey of 5-N,5-N,1-trimethylpyrazole-4,5-diamine?
The InChIKey is IZRWMWMIMRCBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-9(2)6-5(7)4-8-10(6)3/h4H,7H2,1-3H3.
What are the key properties of 5-N,5-N,1-trimethylpyrazole-4,5-diamine?
5-N,5-N,1-trimethylpyrazole-4,5-diamine has a molecular weight of 140.19 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,1-trimethylpyrazole-4,5-diamine is sourced from PubChem (CID 18668124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).