2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine

C10H13N7 — CID 86795052

IUPAC2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCCC(c3nn[nH]n3)C2)nc1
InChIInChI=1S/C10H13N7/c1-3-8(9-13-15-16-14-9)7-17(6-1)10-11-4-2-5-12-10/h2,4-5,8H,1,3,6-7H2,(H,13,14,15,16)
InChIKeyOPSJASQZECUDBH-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.37
Rot. Bonds2

About 2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine

2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine (PubChem CID 86795052) has the molecular formula C10H13N7 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine
PubChem CID86795052
Molecular FormulaC10H13N7
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCCC(c3nn[nH]n3)C2)nc1
InChIInChI=1S/C10H13N7/c1-3-8(9-13-15-16-14-9)7-17(6-1)10-11-4-2-5-12-10/h2,4-5,8H,1,3,6-7H2,(H,13,14,15,16)
InChIKeyOPSJASQZECUDBH-UHFFFAOYSA-N
XLogP0.37
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine (CID 86795052) is 2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine is c1cnc(N2CCCC(c3nn[nH]n3)C2)nc1.
What is the InChIKey of 2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine?
The InChIKey is OPSJASQZECUDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7/c1-3-8(9-13-15-16-14-9)7-17(6-1)10-11-4-2-5-12-10/h2,4-5,8H,1,3,6-7H2,(H,13,14,15,16).
What are the key properties of 2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine?
2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine has a molecular weight of 231.26 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 86795052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).