1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

C19H29N7 — CID 70747237

IUPAC1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCc1cc(C)nc(N2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)n1
InChIInChI=1S/C19H29N7/c1-13-11-14(2)21-19(20-13)25-9-7-15(8-10-25)18-23-22-17(12-24(3)4)26(18)16-5-6-16/h11,15-16H,5-10,12H2,1-4H3
InChIKeyHGPJWRWPIXZRIA-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.47
Rot. Bonds5

About 1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 70747237) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
PubChem CID70747237
Molecular FormulaC19H29N7
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC Name1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCc1cc(C)nc(N2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)n1
InChIInChI=1S/C19H29N7/c1-13-11-14(2)21-19(20-13)25-9-7-15(8-10-25)18-23-22-17(12-24(3)4)26(18)16-5-6-16/h11,15-16H,5-10,12H2,1-4H3
InChIKeyHGPJWRWPIXZRIA-UHFFFAOYSA-N
XLogP2.47
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (CID 70747237) is 1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is Cc1cc(C)nc(N2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)n1.
What is the InChIKey of 1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is HGPJWRWPIXZRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7/c1-13-11-14(2)21-19(20-13)25-9-7-15(8-10-25)18-23-22-17(12-24(3)4)26(18)16-5-6-16/h11,15-16H,5-10,12H2,1-4H3.
What are the key properties of 1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 355.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 70747237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).