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

C9H14N6 — CID 62592638

IUPACN'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc(N(C)CCN)n2ncnc2n1
InChIInChI=1S/C9H14N6/c1-7-5-8(14(2)4-3-10)15-9(13-7)11-6-12-15/h5-6H,3-4,10H2,1-2H3
InChIKeyPBEVTQYBLQUXMV-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.17
Rot. Bonds3

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

N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (PubChem CID 62592638) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
PubChem CID62592638
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC NameN'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc(N(C)CCN)n2ncnc2n1
InChIInChI=1S/C9H14N6/c1-7-5-8(14(2)4-3-10)15-9(13-7)11-6-12-15/h5-6H,3-4,10H2,1-2H3
InChIKeyPBEVTQYBLQUXMV-UHFFFAOYSA-N
XLogP-0.17
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (CID 62592638) is N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is Cc1cc(N(C)CCN)n2ncnc2n1.
What is the InChIKey of N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The InChIKey is PBEVTQYBLQUXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-7-5-8(14(2)4-3-10)15-9(13-7)11-6-12-15/h5-6H,3-4,10H2,1-2H3.
What are the key properties of N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine has a molecular weight of 206.25 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is sourced from PubChem (CID 62592638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).