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

C11H14ClN5 — CID 102918468

IUPAC5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C1CC1)N(C)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C11H14ClN5/c1-7(8-3-4-8)16(2)10-5-9(12)15-11-13-6-14-17(10)11/h5-8H,3-4H2,1-2H3
InChIKeyNEAXRRQAYKANRO-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.01
Rot. Bonds3

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

5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918468) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918468
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C1CC1)N(C)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C11H14ClN5/c1-7(8-3-4-8)16(2)10-5-9(12)15-11-13-6-14-17(10)11/h5-8H,3-4H2,1-2H3
InChIKeyNEAXRRQAYKANRO-UHFFFAOYSA-N
XLogP2.01
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919185
5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918652
5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918479
5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918512
5-chloro-N-methyl-N-(2-methyloxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919057
5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918874
5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918898
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918851
5-chloro-N-(1-cyclopropylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918871
5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919027
5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919316
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide
CID 102918554

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918468) is 5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(C1CC1)N(C)c1cc(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NEAXRRQAYKANRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7(8-3-4-8)16(2)10-5-9(12)15-11-13-6-14-17(10)11/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 251.72 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).