N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine

C12H18N6 — CID 133306662

IUPACN,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine
SMILESCN(C)C(CNc1cnccn1)c1cnn(C)c1
InChIInChI=1S/C12H18N6/c1-17(2)11(10-6-16-18(3)9-10)7-15-12-8-13-4-5-14-12/h4-6,8-9,11H,7H2,1-3H3,(H,14,15)
InChIKeyKHKBJTHCCMWLQA-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.92
Rot. Bonds5

About N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine

N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine (PubChem CID 133306662) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine
PubChem CID133306662
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine
SMILESCN(C)C(CNc1cnccn1)c1cnn(C)c1
InChIInChI=1S/C12H18N6/c1-17(2)11(10-6-16-18(3)9-10)7-15-12-8-13-4-5-14-12/h4-6,8-9,11H,7H2,1-3H3,(H,14,15)
InChIKeyKHKBJTHCCMWLQA-UHFFFAOYSA-N
XLogP0.92
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile
CID 133304739
N,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 133306766
N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine
CID 133306714
(1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 97329473
N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 133306764
(1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 97317316
1-benzyl-3-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-methylguanidine
CID 111790134
1-cyclohexyl-3-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-methylguanidine
CID 111790294
4-chloro-2-(4-chlorophenyl)-5-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133306790
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 95771367
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-2-methyl-1-phenylpropyl]urea
CID 95771368
ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate
CID 64541804

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine (CID 133306662) is N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine is CN(C)C(CNc1cnccn1)c1cnn(C)c1.
What is the InChIKey of N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine?
The InChIKey is KHKBJTHCCMWLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-17(2)11(10-6-16-18(3)9-10)7-15-12-8-13-4-5-14-12/h4-6,8-9,11H,7H2,1-3H3,(H,14,15).
What are the key properties of N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine?
N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine has a molecular weight of 246.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine is sourced from PubChem (CID 133306662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).