ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C9H17N5 — CID 90849643

IUPACethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCC.CC.Nc1nc2ncccn2n1
InChIInChI=1S/C5H5N5.2C2H6/c6-4-8-5-7-2-1-3-10(5)9-4;2*1-2/h1-3H,(H2,6,9);2*1-2H3
InChIKeyPUTOBVNYFNCEKR-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.76
Rot. Bonds

About ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 90849643) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Nameethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID90849643
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Nameethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCC.CC.Nc1nc2ncccn2n1
InChIInChI=1S/C5H5N5.2C2H6/c6-4-8-5-7-2-1-3-10(5)9-4;2*1-2/h1-3H,(H2,6,9);2*1-2H3
InChIKeyPUTOBVNYFNCEKR-UHFFFAOYSA-N
XLogP1.76
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 90849643) is ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is CC.CC.Nc1nc2ncccn2n1.
What is the InChIKey of ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is PUTOBVNYFNCEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5.2C2H6/c6-4-8-5-7-2-1-3-10(5)9-4;2*1-2/h1-3H,(H2,6,9);2*1-2H3.
What are the key properties of ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 195.27 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 90849643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).