5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C15H13N7 — CID 24971377

IUPAC5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c[nH]c2ncnc(Nc3ccccc3-c3ncn[nH]3)c12
InChIInChI=1S/C15H13N7/c1-9-6-16-14-12(9)15(18-7-17-14)21-11-5-3-2-4-10(11)13-19-8-20-22-13/h2-8H,1H3,(H,19,20,22)(H2,16,17,18,21)
InChIKeyUBIKUVKCWZPHLD-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.80
Rot. Bonds3

About 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 24971377) has the molecular formula C15H13N7 and a molecular weight of 291.32 g/mol. Its IUPAC name is 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID24971377
Molecular FormulaC15H13N7
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c[nH]c2ncnc(Nc3ccccc3-c3ncn[nH]3)c12
InChIInChI=1S/C15H13N7/c1-9-6-16-14-12(9)15(18-7-17-14)21-11-5-3-2-4-10(11)13-19-8-20-22-13/h2-8H,1H3,(H,19,20,22)(H2,16,17,18,21)
InChIKeyUBIKUVKCWZPHLD-UHFFFAOYSA-N
XLogP2.80
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 24971377) is 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1c[nH]c2ncnc(Nc3ccccc3-c3ncn[nH]3)c12.
What is the InChIKey of 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UBIKUVKCWZPHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7/c1-9-6-16-14-12(9)15(18-7-17-14)21-11-5-3-2-4-10(11)13-19-8-20-22-13/h2-8H,1H3,(H,19,20,22)(H2,16,17,18,21).
What are the key properties of 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 291.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 24971377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).