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

C15H23N5 — CID 177377402

IUPAC6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N(C)C)c1CC1CCCCC1
InChIInChI=1S/C15H23N5/c1-11-13(9-12-7-5-4-6-8-12)14(19(2)3)20-15(18-11)16-10-17-20/h10,12H,4-9H2,1-3H3
InChIKeyIMAVUVKNIAVLQV-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.62
Rot. Bonds3

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

6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 177377402) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID177377402
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N(C)C)c1CC1CCCCC1
InChIInChI=1S/C15H23N5/c1-11-13(9-12-7-5-4-6-8-12)14(19(2)3)20-15(18-11)16-10-17-20/h10,12H,4-9H2,1-3H3
InChIKeyIMAVUVKNIAVLQV-UHFFFAOYSA-N
XLogP2.62
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 177377402) is 6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N(C)C)c1CC1CCCCC1.
What is the InChIKey of 6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IMAVUVKNIAVLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-11-13(9-12-7-5-4-6-8-12)14(19(2)3)20-15(18-11)16-10-17-20/h10,12H,4-9H2,1-3H3.
What are the key properties of 6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 273.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 177377402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).