N-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine

C18H26N8 — CID 122498451

IUPACN-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCCCC(C)(CC)Nc1nc(-n2cccn2)nc(-n2cccn2)n1
InChIInChI=1S/C18H26N8/c1-4-6-7-10-18(3,5-2)24-15-21-16(25-13-8-11-19-25)23-17(22-15)26-14-9-12-20-26/h8-9,11-14H,4-7,10H2,1-3H3,(H,21,22,23,24)
InChIKeyGRGICMQFFZYUKD-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.40
Rot. Bonds9

About N-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine

N-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 122498451) has the molecular formula C18H26N8 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID122498451
Molecular FormulaC18H26N8
Molecular Weight354.46 g/mol
Exact Mass354.23
IUPAC NameN-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCCCC(C)(CC)Nc1nc(-n2cccn2)nc(-n2cccn2)n1
InChIInChI=1S/C18H26N8/c1-4-6-7-10-18(3,5-2)24-15-21-16(25-13-8-11-19-25)23-17(22-15)26-14-9-12-20-26/h8-9,11-14H,4-7,10H2,1-3H3,(H,21,22,23,24)
InChIKeyGRGICMQFFZYUKD-UHFFFAOYSA-N
XLogP3.40
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine (CID 122498451) is N-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine is CCCCCC(C)(CC)Nc1nc(-n2cccn2)nc(-n2cccn2)n1.
What is the InChIKey of N-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is GRGICMQFFZYUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8/c1-4-6-7-10-18(3,5-2)24-15-21-16(25-13-8-11-19-25)23-17(22-15)26-14-9-12-20-26/h8-9,11-14H,4-7,10H2,1-3H3,(H,21,22,23,24).
What are the key properties of N-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine?
N-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 354.46 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloctan-3-yl)-4,6-di(pyrazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 122498451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).