1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine

C16H17N9 — CID 46892968

IUPAC1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine
SMILESCCNc1nc(C)nc(-n2c(Nc3ccn[nH]3)nc3ccccc32)n1
InChIInChI=1S/C16H17N9/c1-3-17-14-19-10(2)20-15(23-14)25-12-7-5-4-6-11(12)21-16(25)22-13-8-9-18-24-13/h4-9H,3H2,1-2H3,(H,17,19,20,23)(H2,18,21,22,24)
InChIKeyCEDKATOWZYKOIA-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.42
Rot. Bonds5

About 1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine

1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine (PubChem CID 46892968) has the molecular formula C16H17N9 and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine
PubChem CID46892968
Molecular FormulaC16H17N9
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine
SMILESCCNc1nc(C)nc(-n2c(Nc3ccn[nH]3)nc3ccccc32)n1
InChIInChI=1S/C16H17N9/c1-3-17-14-19-10(2)20-15(23-14)25-12-7-5-4-6-11(12)21-16(25)22-13-8-9-18-24-13/h4-9H,3H2,1-2H3,(H,17,19,20,23)(H2,18,21,22,24)
InChIKeyCEDKATOWZYKOIA-UHFFFAOYSA-N
XLogP2.42
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine?
The IUPAC name of 1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine (CID 46892968) is 1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine?
The canonical SMILES for 1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine is CCNc1nc(C)nc(-n2c(Nc3ccn[nH]3)nc3ccccc32)n1.
What is the InChIKey of 1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine?
The InChIKey is CEDKATOWZYKOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9/c1-3-17-14-19-10(2)20-15(23-14)25-12-7-5-4-6-11(12)21-16(25)22-13-8-9-18-24-13/h4-9H,3H2,1-2H3,(H,17,19,20,23)(H2,18,21,22,24).
What are the key properties of 1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine?
1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine has a molecular weight of 335.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)benzimidazol-2-amine is sourced from PubChem (CID 46892968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).