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

C12H20N8 — CID 80816586

IUPAC2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCCCNc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C12H20N8/c1-19(2)8-4-3-6-14-11-16-10(13)17-12(18-11)20-9-5-7-15-20/h5,7,9H,3-4,6,8H2,1-2H3,(H3,13,14,16,17,18)
InChIKeyAHRCYYOAQVRGLF-UHFFFAOYSA-N
MW276.35 g/mol
LogP0.39
Rot. Bonds7

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

2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80816586) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80816586
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCCCNc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C12H20N8/c1-19(2)8-4-3-6-14-11-16-10(13)17-12(18-11)20-9-5-7-15-20/h5,7,9H,3-4,6,8H2,1-2H3,(H3,13,14,16,17,18)
InChIKeyAHRCYYOAQVRGLF-UHFFFAOYSA-N
XLogP0.39
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80796786
2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80831923
6-pyrazol-1-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
CID 115523062
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
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
4-[3-(dimethylamino)propoxy]-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879429

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80816586) is 2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CN(C)CCCCNc1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is AHRCYYOAQVRGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8/c1-19(2)8-4-3-6-14-11-16-10(13)17-12(18-11)20-9-5-7-15-20/h5,7,9H,3-4,6,8H2,1-2H3,(H3,13,14,16,17,18).
What are the key properties of 2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 276.35 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80816586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).