5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H20ClN5 — CID 102918894

IUPAC5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC12CCC(C1)C(C)(C)C2Nc1cc(Cl)nc2ncnn12
InChIInChI=1S/C15H20ClN5/c1-14(2)9-4-5-15(3,7-9)12(14)20-11-6-10(16)19-13-17-8-18-21(11)13/h6,8-9,12,20H,4-5,7H2,1-3H3
InChIKeyKTUAZFSGXXGCNX-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.40
Rot. Bonds2

About 5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918894) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918894
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC12CCC(C1)C(C)(C)C2Nc1cc(Cl)nc2ncnn12
InChIInChI=1S/C15H20ClN5/c1-14(2)9-4-5-15(3,7-9)12(14)20-11-6-10(16)19-13-17-8-18-21(11)13/h6,8-9,12,20H,4-5,7H2,1-3H3
InChIKeyKTUAZFSGXXGCNX-UHFFFAOYSA-N
XLogP3.40
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918894) is 5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC12CCC(C1)C(C)(C)C2Nc1cc(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KTUAZFSGXXGCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-14(2)9-4-5-15(3,7-9)12(14)20-11-6-10(16)19-13-17-8-18-21(11)13/h6,8-9,12,20H,4-5,7H2,1-3H3.
What are the key properties of 5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 305.81 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).