4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine

C22H32N10 — CID 133485999

IUPAC4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
SMILESCCn1cnnc1C1CCN(c2cc(N3CCC(c4nncn4CC)CC3)ncn2)CC1
InChIInChI=1S/C22H32N10/c1-3-29-15-25-27-21(29)17-5-9-31(10-6-17)19-13-20(24-14-23-19)32-11-7-18(8-12-32)22-28-26-16-30(22)4-2/h13-18H,3-12H2,1-2H3
InChIKeyJZYKRLXLQWVHKN-UHFFFAOYSA-N
MW436.57 g/mol
LogP2.47
Rot. Bonds6

About 4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine

4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine (PubChem CID 133485999) has the molecular formula C22H32N10 and a molecular weight of 436.57 g/mol. Its IUPAC name is 4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
PubChem CID133485999
Molecular FormulaC22H32N10
Molecular Weight436.57 g/mol
Exact Mass436.28
IUPAC Name4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
SMILESCCn1cnnc1C1CCN(c2cc(N3CCC(c4nncn4CC)CC3)ncn2)CC1
InChIInChI=1S/C22H32N10/c1-3-29-15-25-27-21(29)17-5-9-31(10-6-17)19-13-20(24-14-23-19)32-11-7-18(8-12-32)22-28-26-16-30(22)4-2/h13-18H,3-12H2,1-2H3
InChIKeyJZYKRLXLQWVHKN-UHFFFAOYSA-N
XLogP2.47
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine (CID 133485999) is 4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine is CCn1cnnc1C1CCN(c2cc(N3CCC(c4nncn4CC)CC3)ncn2)CC1.
What is the InChIKey of 4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
The InChIKey is JZYKRLXLQWVHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N10/c1-3-29-15-25-27-21(29)17-5-9-31(10-6-17)19-13-20(24-14-23-19)32-11-7-18(8-12-32)22-28-26-16-30(22)4-2/h13-18H,3-12H2,1-2H3.
What are the key properties of 4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine has a molecular weight of 436.57 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133485999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).