4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine

C13H15N7 — CID 138380469

IUPAC4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESc1nc(N2CCC(n3cnnc3)CC2)c2[nH]ccc2n1
InChIInChI=1S/C13H15N7/c1-4-14-12-11(1)15-7-16-13(12)19-5-2-10(3-6-19)20-8-17-18-9-20/h1,4,7-10,14H,2-3,5-6H2
InChIKeyOPYYGKZIHMETPH-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.39
Rot. Bonds2

About 4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine

4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 138380469) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID138380469
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESc1nc(N2CCC(n3cnnc3)CC2)c2[nH]ccc2n1
InChIInChI=1S/C13H15N7/c1-4-14-12-11(1)15-7-16-13(12)19-5-2-10(3-6-19)20-8-17-18-9-20/h1,4,7-10,14H,2-3,5-6H2
InChIKeyOPYYGKZIHMETPH-UHFFFAOYSA-N
XLogP1.39
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine (CID 138380469) is 4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine is c1nc(N2CCC(n3cnnc3)CC2)c2[nH]ccc2n1.
What is the InChIKey of 4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is OPYYGKZIHMETPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-4-14-12-11(1)15-7-16-13(12)19-5-2-10(3-6-19)20-8-17-18-9-20/h1,4,7-10,14H,2-3,5-6H2.
What are the key properties of 4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine?
4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 269.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 138380469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).