5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H20ClN5 — CID 102918512

IUPAC5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)CN(CC(C)C)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C13H20ClN5/c1-9(2)6-18(7-10(3)4)12-5-11(14)17-13-15-8-16-19(12)13/h5,8-10H,6-7H2,1-4H3
InChIKeyRNLHWOGSIPTCBL-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.90
Rot. Bonds5

About 5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918512) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918512
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)CN(CC(C)C)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C13H20ClN5/c1-9(2)6-18(7-10(3)4)12-5-11(14)17-13-15-8-16-19(12)13/h5,8-10H,6-7H2,1-4H3
InChIKeyRNLHWOGSIPTCBL-UHFFFAOYSA-N
XLogP2.90
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918512) is 5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(C)CN(CC(C)C)c1cc(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RNLHWOGSIPTCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5/c1-9(2)6-18(7-10(3)4)12-5-11(14)17-13-15-8-16-19(12)13/h5,8-10H,6-7H2,1-4H3.
What are the key properties of 5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 281.79 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).