2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C11H18N8 — CID 80831923

IUPAC2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(C)CCNc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C11H18N8/c1-3-18(2)8-6-13-10-15-9(12)16-11(17-10)19-7-4-5-14-19/h4-5,7H,3,6,8H2,1-2H3,(H3,12,13,15,16,17)
InChIKeyRMSZZBZQAIUODH-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.00
Rot. Bonds6

About 2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80831923) has the molecular formula C11H18N8 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80831923
Molecular FormulaC11H18N8
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(C)CCNc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C11H18N8/c1-3-18(2)8-6-13-10-15-9(12)16-11(17-10)19-7-4-5-14-19/h4-5,7H,3,6,8H2,1-2H3,(H3,12,13,15,16,17)
InChIKeyRMSZZBZQAIUODH-UHFFFAOYSA-N
XLogP0.00
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186
2-N-[2-[ethyl(methyl)amino]ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80832325
2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80816586
2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80772450
6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80832241
6-pyrazol-1-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
CID 115523062
2-N-[(5-methylfuran-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80827784
2-[2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 80826375
2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 106424400
6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80786209
6-pyrazol-1-yl-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83146536
2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80774484

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80831923) is 2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CCN(C)CCNc1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is RMSZZBZQAIUODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N8/c1-3-18(2)8-6-13-10-15-9(12)16-11(17-10)19-7-4-5-14-19/h4-5,7H,3,6,8H2,1-2H3,(H3,12,13,15,16,17).
What are the key properties of 2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 262.32 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80831923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).