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

C9H14N6O — CID 16767887

IUPACN'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
SMILESCOCc1cc(NCCN)n2ncnc2n1
InChIInChI=1S/C9H14N6O/c1-16-5-7-4-8(11-3-2-10)15-9(14-7)12-6-13-15/h4,6,11H,2-3,5,10H2,1H3
InChIKeyPZKAKYNRAWNUQW-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.36
Rot. Bonds5

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

N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine (PubChem CID 16767887) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
PubChem CID16767887
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC NameN'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
SMILESCOCc1cc(NCCN)n2ncnc2n1
InChIInChI=1S/C9H14N6O/c1-16-5-7-4-8(11-3-2-10)15-9(14-7)12-6-13-15/h4,6,11H,2-3,5,10H2,1H3
InChIKeyPZKAKYNRAWNUQW-UHFFFAOYSA-N
XLogP-0.36
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine (CID 16767887) is N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine is COCc1cc(NCCN)n2ncnc2n1.
What is the InChIKey of N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The InChIKey is PZKAKYNRAWNUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-16-5-7-4-8(11-3-2-10)15-9(14-7)12-6-13-15/h4,6,11H,2-3,5,10H2,1H3.
What are the key properties of N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine has a molecular weight of 222.25 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine is sourced from PubChem (CID 16767887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).