4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine

C15H26N8 — CID 22253959

IUPAC4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(NCCCCCn2cccn2)n1
InChIInChI=1S/C15H26N8/c1-3-16-13-20-14(17-4-2)22-15(21-13)18-9-6-5-7-11-23-12-8-10-19-23/h8,10,12H,3-7,9,11H2,1-2H3,(H3,16,17,18,20,21,22)
InChIKeyZMRIUFLAUYHRPC-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.21
Rot. Bonds11

About 4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine

4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 22253959) has the molecular formula C15H26N8 and a molecular weight of 318.43 g/mol. Its IUPAC name is 4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID22253959
Molecular FormulaC15H26N8
Molecular Weight318.43 g/mol
Exact Mass318.23
IUPAC Name4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(NCCCCCn2cccn2)n1
InChIInChI=1S/C15H26N8/c1-3-16-13-20-14(17-4-2)22-15(21-13)18-9-6-5-7-11-23-12-8-10-19-23/h8,10,12H,3-7,9,11H2,1-2H3,(H3,16,17,18,20,21,22)
InChIKeyZMRIUFLAUYHRPC-UHFFFAOYSA-N
XLogP2.21
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(Methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727841
1-Butyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134133755
N-Propyl-6-(1H-pyrazol-1-YL)pyrimidin-4-amine
CID 53015218
N-ethyl-6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 53015219
1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]propan-2-amine
CID 53522536
2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine
CID 56817471
2-{4-[2-(1H-pyrazol-1-yl)ethyl]piperidin-1-yl}-1,3,5-triazine
CID 91777130
2-Pyrazol-1-yl-1,3,5-triazine
CID 57211484
2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 80352041
4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine
CID 95128656
N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine
CID 95334725
4-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 97821405

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine (CID 22253959) is 4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCC)nc(NCCCCCn2cccn2)n1.
What is the InChIKey of 4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZMRIUFLAUYHRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N8/c1-3-16-13-20-14(17-4-2)22-15(21-13)18-9-6-5-7-11-23-12-8-10-19-23/h8,10,12H,3-7,9,11H2,1-2H3,(H3,16,17,18,20,21,22).
What are the key properties of 4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 318.43 g/mol, XLogP of 2.21, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diethyl-2-N-(5-pyrazol-1-ylpentyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 22253959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).