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

C8H14Cl2N6 — CID 47002603

IUPACN'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine;dihydrochloride
SMILESCc1cc(NCCN)n2ncnc2n1.Cl.Cl
InChIInChI=1S/C8H12N6.2ClH/c1-6-4-7(10-3-2-9)14-8(13-6)11-5-12-14;;/h4-5,10H,2-3,9H2,1H3;2*1H
InChIKeyFFIRVCAHXKJFGC-UHFFFAOYSA-N
MW265.15 g/mol
LogP0.65
Rot. Bonds3

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

N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 47002603) has the molecular formula C8H14Cl2N6 and a molecular weight of 265.15 g/mol. Its IUPAC name is N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID47002603
Molecular FormulaC8H14Cl2N6
Molecular Weight265.15 g/mol
Exact Mass264.07
IUPAC NameN'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine;dihydrochloride
SMILESCc1cc(NCCN)n2ncnc2n1.Cl.Cl
InChIInChI=1S/C8H12N6.2ClH/c1-6-4-7(10-3-2-9)14-8(13-6)11-5-12-14;;/h4-5,10H,2-3,9H2,1H3;2*1H
InChIKeyFFIRVCAHXKJFGC-UHFFFAOYSA-N
XLogP0.65
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine;dihydrochloride (CID 47002603) is N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine;dihydrochloride is Cc1cc(NCCN)n2ncnc2n1.Cl.Cl.
What is the InChIKey of N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is FFIRVCAHXKJFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6.2ClH/c1-6-4-7(10-3-2-9)14-8(13-6)11-5-12-14;;/h4-5,10H,2-3,9H2,1H3;2*1H.
What are the key properties of N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine;dihydrochloride?
N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 265.15 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 47002603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).