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

C13H21N5 — CID 53259244

IUPACN-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCCCNc1cc(C)nc2ncnn12
InChIInChI=1S/C13H21N5/c1-3-4-5-6-7-8-14-12-9-11(2)17-13-15-10-16-18(12)13/h9-10,14H,3-8H2,1-2H3
InChIKeyRDPQKERGSHHMJG-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.82
Rot. Bonds7

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

N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53259244) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID53259244
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCCCNc1cc(C)nc2ncnn12
InChIInChI=1S/C13H21N5/c1-3-4-5-6-7-8-14-12-9-11(2)17-13-15-10-16-18(12)13/h9-10,14H,3-8H2,1-2H3
InChIKeyRDPQKERGSHHMJG-UHFFFAOYSA-N
XLogP2.82
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 53259244) is N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCCCCCNc1cc(C)nc2ncnn12.
What is the InChIKey of N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RDPQKERGSHHMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-4-5-6-7-8-14-12-9-11(2)17-13-15-10-16-18(12)13/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 247.35 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53259244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).