1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine

C12H18N6 — CID 106894776

IUPAC1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCc2cccnn2)c1N
InChIInChI=1S/C12H18N6/c1-8(2)11-10(13)12(18(3)17-11)14-7-9-5-4-6-15-16-9/h4-6,8,14H,7,13H2,1-3H3
InChIKeyRDFGSEJGJYUZRI-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.53
Rot. Bonds4

About 1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine

1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine (PubChem CID 106894776) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine
PubChem CID106894776
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCc2cccnn2)c1N
InChIInChI=1S/C12H18N6/c1-8(2)11-10(13)12(18(3)17-11)14-7-9-5-4-6-15-16-9/h4-6,8,14H,7,13H2,1-3H3
InChIKeyRDFGSEJGJYUZRI-UHFFFAOYSA-N
XLogP1.53
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
CID 66017201
1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66017234
1-methyl-3-propan-2-yl-5-N-(1H-pyrazol-5-ylmethyl)pyrazole-4,5-diamine
CID 66017428
1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 114185816
5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66019338
1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011943
1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine
CID 106832693
4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile
CID 66019778
5-N-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018172
5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018365
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid
CID 66019776
1,3-dimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 43554069

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine (CID 106894776) is 1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine is CC(C)c1nn(C)c(NCc2cccnn2)c1N.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine?
The InChIKey is RDFGSEJGJYUZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-8(2)11-10(13)12(18(3)17-11)14-7-9-5-4-6-15-16-9/h4-6,8,14H,7,13H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine?
1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 106894776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).