2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H17N5 — CID 23608686

IUPAC2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)C)n2nc(Cc3ccccc3)nc2n1
InChIInChI=1S/C15H17N5/c1-11-9-14(19(2)3)20-15(16-11)17-13(18-20)10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3
InChIKeyLPZUVHHZSCTGQN-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.09
Rot. Bonds3

About 2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 23608686) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID23608686
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)C)n2nc(Cc3ccccc3)nc2n1
InChIInChI=1S/C15H17N5/c1-11-9-14(19(2)3)20-15(16-11)17-13(18-20)10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3
InChIKeyLPZUVHHZSCTGQN-UHFFFAOYSA-N
XLogP2.09
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 23608686) is 2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(C)C)n2nc(Cc3ccccc3)nc2n1.
What is the InChIKey of 2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LPZUVHHZSCTGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-11-9-14(19(2)3)20-15(16-11)17-13(18-20)10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3.
What are the key properties of 2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 267.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 23608686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).