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

C10H16ClN5 — CID 162521727

IUPAC5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;ethane
SMILESCC.Cc1c(Cl)nc2ncnn2c1N(C)C
InChIInChI=1S/C8H10ClN5.C2H6/c1-5-6(9)12-8-10-4-11-14(8)7(5)13(2)3;1-2/h4H,1-3H3;1-2H3
InChIKeyMVWBWKTVKNTFJU-UHFFFAOYSA-N
MW241.73 g/mol
LogP2.18
Rot. Bonds1

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

5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;ethane (PubChem CID 162521727) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;ethane.

Molecular Properties

Compound Name5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;ethane
PubChem CID162521727
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;ethane
SMILESCC.Cc1c(Cl)nc2ncnn2c1N(C)C
InChIInChI=1S/C8H10ClN5.C2H6/c1-5-6(9)12-8-10-4-11-14(8)7(5)13(2)3;1-2/h4H,1-3H3;1-2H3
InChIKeyMVWBWKTVKNTFJU-UHFFFAOYSA-N
XLogP2.18
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 52.18
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,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;ethane?
The IUPAC name of 5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;ethane (CID 162521727) is 5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;ethane.
What is the SMILES notation for 5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;ethane?
The canonical SMILES for 5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;ethane is CC.Cc1c(Cl)nc2ncnn2c1N(C)C.
What is the InChIKey of 5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;ethane?
The InChIKey is MVWBWKTVKNTFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5.C2H6/c1-5-6(9)12-8-10-4-11-14(8)7(5)13(2)3;1-2/h4H,1-3H3;1-2H3.
What are the key properties of 5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;ethane?
5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;ethane has a molecular weight of 241.73 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;ethane is sourced from PubChem (CID 162521727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).