N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H17N5O — CID 133423320

IUPACN,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N(C)OCc2ccccc2)c1C
InChIInChI=1S/C15H17N5O/c1-11-12(2)18-15-16-10-17-20(15)14(11)19(3)21-9-13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3
InChIKeyDPPICFBXXCOOSU-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.31
Rot. Bonds4

About N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133423320) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133423320
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N(C)OCc2ccccc2)c1C
InChIInChI=1S/C15H17N5O/c1-11-12(2)18-15-16-10-17-20(15)14(11)19(3)21-9-13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3
InChIKeyDPPICFBXXCOOSU-UHFFFAOYSA-N
XLogP2.31
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133423320) is N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N(C)OCc2ccccc2)c1C.
What is the InChIKey of N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DPPICFBXXCOOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-12(2)18-15-16-10-17-20(15)14(11)19(3)21-9-13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3.
What are the key properties of N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 283.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133423320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).