2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C12H19N7 — CID 80774484

IUPAC2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCN(C)c1nc(NCC)nc(-n2cccn2)n1
InChIInChI=1S/C12H19N7/c1-4-8-18(3)11-15-10(13-5-2)16-12(17-11)19-9-6-7-14-19/h6-7,9H,4-5,8H2,1-3H3,(H,13,15,16,17)
InChIKeyIDBGTXXPVHDIHY-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.34
Rot. Bonds6

About 2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80774484) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80774484
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCN(C)c1nc(NCC)nc(-n2cccn2)n1
InChIInChI=1S/C12H19N7/c1-4-8-18(3)11-15-10(13-5-2)16-12(17-11)19-9-6-7-14-19/h6-7,9H,4-5,8H2,1-3H3,(H,13,15,16,17)
InChIKeyIDBGTXXPVHDIHY-UHFFFAOYSA-N
XLogP1.34
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80774055
2-N-ethyl-4-N-methyl-4-N-(3-methylbutyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80780583
2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80819898
4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846043
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977
4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80753902
4-[3-(dimethylamino)propoxy]-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879429
N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80904002
4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865516
4-hydrazinyl-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80918881
1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80780224
2-N,4-N-dimethyl-4-N-(2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80776677

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80774484) is 2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CCCN(C)c1nc(NCC)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is IDBGTXXPVHDIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-4-8-18(3)11-15-10(13-5-2)16-12(17-11)19-9-6-7-14-19/h6-7,9H,4-5,8H2,1-3H3,(H,13,15,16,17).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 261.33 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80774484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).