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

C14H16N10 — CID 6431883

IUPACN,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc(NCCNc2cc(C)nc3ncnn23)n2ncnc2n1
InChIInChI=1S/C14H16N10/c1-9-5-11(23-13(21-9)17-7-19-23)15-3-4-16-12-6-10(2)22-14-18-8-20-24(12)14/h5-8,15-16H,3-4H2,1-2H3
InChIKeyRTYJHJVSHFWKFJ-UHFFFAOYSA-N
MW324.35 g/mol
LogP0.70
Rot. Bonds5

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

N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (PubChem CID 6431883) has the molecular formula C14H16N10 and a molecular weight of 324.35 g/mol. Its IUPAC name is N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
PubChem CID6431883
Molecular FormulaC14H16N10
Molecular Weight324.35 g/mol
Exact Mass324.16
IUPAC NameN,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc(NCCNc2cc(C)nc3ncnn23)n2ncnc2n1
InChIInChI=1S/C14H16N10/c1-9-5-11(23-13(21-9)17-7-19-23)15-3-4-16-12-6-10(2)22-14-18-8-20-24(12)14/h5-8,15-16H,3-4H2,1-2H3
InChIKeyRTYJHJVSHFWKFJ-UHFFFAOYSA-N
XLogP0.70
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.70
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)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (CID 6431883) is N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is Cc1cc(NCCNc2cc(C)nc3ncnn23)n2ncnc2n1.
What is the InChIKey of N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The InChIKey is RTYJHJVSHFWKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N10/c1-9-5-11(23-13(21-9)17-7-19-23)15-3-4-16-12-6-10(2)22-14-18-8-20-24(12)14/h5-8,15-16H,3-4H2,1-2H3.
What are the key properties of N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
N,N'-bis(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine has a molecular weight of 324.35 g/mol, XLogP of 0.70, 5 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)ethane-1,2-diamine is sourced from PubChem (CID 6431883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).