[1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride

C5H7Cl2N5 — CID 165478699

IUPAC[1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride
SMILESCl.Cl.Nc1cnc2ncnn2c1
InChIInChI=1S/C5H5N5.2ClH/c6-4-1-7-5-8-3-9-10(5)2-4;;/h1-3H,6H2;2*1H
InChIKeyNFIIVRNNOIQQNR-UHFFFAOYSA-N
MW208.05 g/mol
LogP0.55
Rot. Bonds

About [1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride

[1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride (PubChem CID 165478699) has the molecular formula C5H7Cl2N5 and a molecular weight of 208.05 g/mol. Its IUPAC name is [1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride.

Molecular Properties

Compound Name[1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride
PubChem CID165478699
Molecular FormulaC5H7Cl2N5
Molecular Weight208.05 g/mol
Exact Mass207.01
IUPAC Name[1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride
SMILESCl.Cl.Nc1cnc2ncnn2c1
InChIInChI=1S/C5H5N5.2ClH/c6-4-1-7-5-8-3-9-10(5)2-4;;/h1-3H,6H2;2*1H
InChIKeyNFIIVRNNOIQQNR-UHFFFAOYSA-N
XLogP0.55
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride?
The IUPAC name of [1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride (CID 165478699) is [1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride.
What is the SMILES notation for [1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride?
The canonical SMILES for [1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride is Cl.Cl.Nc1cnc2ncnn2c1.
What is the InChIKey of [1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride?
The InChIKey is NFIIVRNNOIQQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5.2ClH/c6-4-1-7-5-8-3-9-10(5)2-4;;/h1-3H,6H2;2*1H.
What are the key properties of [1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride?
[1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride has a molecular weight of 208.05 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[1,5-a]pyrimidin-6-amine;dihydrochloride is sourced from PubChem (CID 165478699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).