N-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H15N5 — CID 5309692

IUPACN-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(c1ccccc1)c1cc(C)nc2ncnn12
InChIInChI=1S/C14H15N5/c1-3-18(12-7-5-4-6-8-12)13-9-11(2)17-14-15-10-16-19(13)14/h4-10H,3H2,1-2H3
InChIKeyPFRSGEMQAGQTPM-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.59
Rot. Bonds3

About N-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 5309692) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID5309692
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(c1ccccc1)c1cc(C)nc2ncnn12
InChIInChI=1S/C14H15N5/c1-3-18(12-7-5-4-6-8-12)13-9-11(2)17-14-15-10-16-19(13)14/h4-10H,3H2,1-2H3
InChIKeyPFRSGEMQAGQTPM-UHFFFAOYSA-N
XLogP2.59
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 5309692) is N-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCN(c1ccccc1)c1cc(C)nc2ncnn12.
What is the InChIKey of N-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PFRSGEMQAGQTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-3-18(12-7-5-4-6-8-12)13-9-11(2)17-14-15-10-16-19(13)14/h4-10H,3H2,1-2H3.
What are the key properties of N-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 253.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 5309692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).