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

C8H10ClN5 — CID 103076155

IUPAC5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1N(C)C
InChIInChI=1S/C8H10ClN5/c1-5-6(9)12-8-10-4-11-14(8)7(5)13(2)3/h4H,1-3H3
InChIKeyHDTIQPQTYYHDSW-UHFFFAOYSA-N
MW211.66 g/mol
LogP1.15
Rot. Bonds1

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

5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076155) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is 5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076155
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1N(C)C
InChIInChI=1S/C8H10ClN5/c1-5-6(9)12-8-10-4-11-14(8)7(5)13(2)3/h4H,1-3H3
InChIKeyHDTIQPQTYYHDSW-UHFFFAOYSA-N
XLogP1.15
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.15
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?
The IUPAC name of 5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076155) is 5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is 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?
The InChIKey is HDTIQPQTYYHDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5/c1-5-6(9)12-8-10-4-11-14(8)7(5)13(2)3/h4H,1-3H3.
What are the key properties of 5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 211.66 g/mol, XLogP of 1.15, 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 is sourced from PubChem (CID 103076155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).