N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine

C18H24N10 — CID 6431902

IUPACN,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine
SMILESCc1cc(NCCCCCCNc2cc(C)nc3ncnn23)n2ncnc2n1
InChIInChI=1S/C18H24N10/c1-13-9-15(27-17(25-13)21-11-23-27)19-7-5-3-4-6-8-20-16-10-14(2)26-18-22-12-24-28(16)18/h9-12,19-20H,3-8H2,1-2H3
InChIKeyFZQDCKNHAGCTAG-UHFFFAOYSA-N
MW380.46 g/mol
LogP2.26
Rot. Bonds9

About N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine

N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine (PubChem CID 6431902) has the molecular formula C18H24N10 and a molecular weight of 380.46 g/mol. Its IUPAC name is N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine
PubChem CID6431902
Molecular FormulaC18H24N10
Molecular Weight380.46 g/mol
Exact Mass380.22
IUPAC NameN,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine
SMILESCc1cc(NCCCCCCNc2cc(C)nc3ncnn23)n2ncnc2n1
InChIInChI=1S/C18H24N10/c1-13-9-15(27-17(25-13)21-11-23-27)19-7-5-3-4-6-8-20-16-10-14(2)26-18-22-12-24-28(16)18/h9-12,19-20H,3-8H2,1-2H3
InChIKeyFZQDCKNHAGCTAG-UHFFFAOYSA-N
XLogP2.26
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine?
The IUPAC name of N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine (CID 6431902) is N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine?
The canonical SMILES for N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine is Cc1cc(NCCCCCCNc2cc(C)nc3ncnn23)n2ncnc2n1.
What is the InChIKey of N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine?
The InChIKey is FZQDCKNHAGCTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N10/c1-13-9-15(27-17(25-13)21-11-23-27)19-7-5-3-4-6-8-20-16-10-14(2)26-18-22-12-24-28(16)18/h9-12,19-20H,3-8H2,1-2H3.
What are the key properties of N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine?
N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine has a molecular weight of 380.46 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,6-diamine is sourced from PubChem (CID 6431902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).