5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C10H11N5 — CID 653352

IUPAC5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC#CCNc1c(C)c(C)nc2ncnn12
InChIInChI=1S/C10H11N5/c1-4-5-11-9-7(2)8(3)14-10-12-6-13-15(9)10/h1,6,11H,5H2,2-3H3
InChIKeyMEKPBRLESAWEON-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.79
Rot. Bonds2

About 5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 653352) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID653352
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC#CCNc1c(C)c(C)nc2ncnn12
InChIInChI=1S/C10H11N5/c1-4-5-11-9-7(2)8(3)14-10-12-6-13-15(9)10/h1,6,11H,5H2,2-3H3
InChIKeyMEKPBRLESAWEON-UHFFFAOYSA-N
XLogP0.79
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 137148836
CID 645877
CID 645877
CID 136114636
CID 136114636
CID 1460800
CID 1460800
CID 1460804
CID 1460804
CID 43816949
CID 43816949
CID 53259071
CID 53259071
CID 57523452
CID 57523452

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 653352) is 5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is C#CCNc1c(C)c(C)nc2ncnn12.
What is the InChIKey of 5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MEKPBRLESAWEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-4-5-11-9-7(2)8(3)14-10-12-6-13-15(9)10/h1,6,11H,5H2,2-3H3.
What are the key properties of 5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 201.23 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 653352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).