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

C13H21N7 — CID 80774055

IUPAC2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CC)c1nc(NCC)nc(-n2cccn2)n1
InChIInChI=1S/C13H21N7/c1-4-9-19(6-3)12-16-11(14-5-2)17-13(18-12)20-10-7-8-15-20/h7-8,10H,4-6,9H2,1-3H3,(H,14,16,17,18)
InChIKeyIHZCIBWBZKPMIL-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.73
Rot. Bonds7

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

2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80774055) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80774055
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CC)c1nc(NCC)nc(-n2cccn2)n1
InChIInChI=1S/C13H21N7/c1-4-9-19(6-3)12-16-11(14-5-2)17-13(18-12)20-10-7-8-15-20/h7-8,10H,4-6,9H2,1-3H3,(H,14,16,17,18)
InChIKeyIHZCIBWBZKPMIL-UHFFFAOYSA-N
XLogP1.73
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80774484
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
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977
N-ethyl-4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80900789
4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865516
3-[ethyl-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanenitrile
CID 80787973
1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80780224
4-[3-(dimethylamino)propoxy]-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879429
2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782523
N-ethyl-4-pyrazol-1-yl-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888457
2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80831923

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80774055) is 2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CCCN(CC)c1nc(NCC)nc(-n2cccn2)n1.
What is the InChIKey of 2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is IHZCIBWBZKPMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-4-9-19(6-3)12-16-11(14-5-2)17-13(18-12)20-10-7-8-15-20/h7-8,10H,4-6,9H2,1-3H3,(H,14,16,17,18).
What are the key properties of 2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 275.36 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80774055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).