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

C12H20N8 — CID 80846043

IUPAC4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)CCN(C)C)nc(-n2cccn2)n1
InChIInChI=1S/C12H20N8/c1-13-10-15-11(19(4)9-8-18(2)3)17-12(16-10)20-7-5-6-14-20/h5-7H,8-9H2,1-4H3,(H,13,15,16,17)
InChIKeyZWWGMICCOIFNCN-UHFFFAOYSA-N
MW276.35 g/mol
LogP0.10
Rot. Bonds6

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

4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80846043) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80846043
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)CCN(C)C)nc(-n2cccn2)n1
InChIInChI=1S/C12H20N8/c1-13-10-15-11(19(4)9-8-18(2)3)17-12(16-10)20-7-5-6-14-20/h5-7H,8-9H2,1-4H3,(H,13,15,16,17)
InChIKeyZWWGMICCOIFNCN-UHFFFAOYSA-N
XLogP0.10
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N-dimethyl-4-N-(2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80776677
N,N-dimethyl-2-[methyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80772086
2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80838670
2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80796786
2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80750664
2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80774484
2-N-[1-(dimethylamino)propan-2-yl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 82949897
4-hydrazinyl-N-methyl-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80899158
2-N-ethyl-4-N-methyl-4-N-(3-methylbutyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80780583
4-hydrazinyl-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80918881
4-N-cyclopentyl-4-N-ethyl-2-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80775774
N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80904002

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80846043) is 4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CNc1nc(N(C)CCN(C)C)nc(-n2cccn2)n1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZWWGMICCOIFNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8/c1-13-10-15-11(19(4)9-8-18(2)3)17-12(16-10)20-7-5-6-14-20/h5-7H,8-9H2,1-4H3,(H,13,15,16,17).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 276.35 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80846043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).