4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid

C14H18ClN7O3 — CID 87526359

IUPAC4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2nnc3c(N4CCOCC4)nc(Cl)nc32)CC1
InChIInChI=1S/C14H18ClN7O3/c15-13-16-11(20-5-7-25-8-6-20)10-12(17-13)22(19-18-10)9-1-3-21(4-2-9)14(23)24/h9H,1-8H2,(H,23,24)
InChIKeyLILLDYUYFLKXRP-UHFFFAOYSA-N
MW367.80 g/mol
LogP1.03
Rot. Bonds2

About 4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid

4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid (PubChem CID 87526359) has the molecular formula C14H18ClN7O3 and a molecular weight of 367.80 g/mol. Its IUPAC name is 4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid
PubChem CID87526359
Molecular FormulaC14H18ClN7O3
Molecular Weight367.80 g/mol
Exact Mass367.12
IUPAC Name4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2nnc3c(N4CCOCC4)nc(Cl)nc32)CC1
InChIInChI=1S/C14H18ClN7O3/c15-13-16-11(20-5-7-25-8-6-20)10-12(17-13)22(19-18-10)9-1-3-21(4-2-9)14(23)24/h9H,1-8H2,(H,23,24)
InChIKeyLILLDYUYFLKXRP-UHFFFAOYSA-N
XLogP1.03
TPSA109.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid (CID 87526359) is 4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(n2nnc3c(N4CCOCC4)nc(Cl)nc32)CC1.
What is the InChIKey of 4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid?
The InChIKey is LILLDYUYFLKXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN7O3/c15-13-16-11(20-5-7-25-8-6-20)10-12(17-13)22(19-18-10)9-1-3-21(4-2-9)14(23)24/h9H,1-8H2,(H,23,24).
What are the key properties of 4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid?
4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid has a molecular weight of 367.80 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 87526359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).