N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide

C14H15N7O — CID 7584534

IUPACN-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide
SMILESCCn1nnc2c(Nc3ccc(NC(C)=O)cc3)ncnc21
InChIInChI=1S/C14H15N7O/c1-3-21-14-12(19-20-21)13(15-8-16-14)18-11-6-4-10(5-7-11)17-9(2)22/h4-8H,3H2,1-2H3,(H,17,22)(H,15,16,18)
InChIKeyTYPZXPCNIKCUAQ-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.94
Rot. Bonds4

About N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide

N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide (PubChem CID 7584534) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide
PubChem CID7584534
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide
SMILESCCn1nnc2c(Nc3ccc(NC(C)=O)cc3)ncnc21
InChIInChI=1S/C14H15N7O/c1-3-21-14-12(19-20-21)13(15-8-16-14)18-11-6-4-10(5-7-11)17-9(2)22/h4-8H,3H2,1-2H3,(H,17,22)(H,15,16,18)
InChIKeyTYPZXPCNIKCUAQ-UHFFFAOYSA-N
XLogP1.94
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide (CID 7584534) is N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide is CCn1nnc2c(Nc3ccc(NC(C)=O)cc3)ncnc21.
What is the InChIKey of N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide?
The InChIKey is TYPZXPCNIKCUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O/c1-3-21-14-12(19-20-21)13(15-8-16-14)18-11-6-4-10(5-7-11)17-9(2)22/h4-8H,3H2,1-2H3,(H,17,22)(H,15,16,18).
What are the key properties of N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide?
N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide has a molecular weight of 297.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide is sourced from PubChem (CID 7584534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).